# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T15:25:05+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'The Journal of organic chemistry') AND volume = 70 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"4020000","12.762","0.0016","6.8946","0.0009","17.222","0.002","90","","98.533","0.002","90","","1498.5","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N2 O0.5 -","- C17 H21 N2 O0.5 -","- C68 H84 N8 O2 -","4","2","","Steven M. Allin; Christopher I. Thomas; Kevin Doyle; Mark R. J. Elsegood","","Journal of Organic Chemistry","2005","70","","357","359","10.1021/jo040245k","","x-ray","0.71073","MoKα","","0.0687","0.0429","","","0.0918","0.1051","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020001","6.9145","0.001","20.9656","0.0019","21.9283","0.0017","90","","90","","90","","3178.9","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 N6 O8 Si -","- C28 H42 N6 O8 Si -","- C112 H168 N24 O32 Si4 -","4","1","","Yu Lin Jiang; Carissa J. Wiederholf; Jennifer N. Patro; Kazuhiro Haraguchi; Marc M. Greenberg","","Journal of Organic Chemistry","2005","70","","141","149","10.1021/jo048253o","","","0.71073","","","0.0796","0.0615","","","0.1513","0.1618","","","","","","1.108","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020002","9.6715","0.0003","9.9913","0.0003","10.0792","0.0004","69.312","0.0014","85.197","0.0015","72.302","0.0016","867.73","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","7,7'-dihydroxy-8,8'-biquinolyl dimethanol solvate","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.","Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls","The Journal of Organic Chemistry","2005","70","1","373","376","10.1021/jo048258l","","x-ray","0.71073","MoKα","","0.1072","0.0843","","","0.2792","0.3006","","","","","","1.213","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020003","10.361","0.0002","7.742","0.0002","15.539","0.0004","90","","107.664","0.001","90","","1187.69","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl (8-iodo-7-hydroxy-6-quinolyl)carboxamide","","- C12 H11 I N2 O2 -","- C12 H11 I N2 O2 -","- C48 H44 I4 N8 O8 -","4","1","","Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.","Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls","The Journal of Organic Chemistry","2005","70","1","373","376","10.1021/jo048258l","","x-ray","0.71073","MoKα","","0.0362","0.0254","","","0.0637","0.0671","","","","","","1.054","","","","has coordinates","270064","2021-10-23","04:42:05",""
"4020004","12.3233","0.0002","18.2087","0.0004","13.2098","0.0003","90","","102.782","0.0011","90","","2890.71","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7,7'-bis(diethylaminocarbonyloxy)-6,6'-diiodo-8,8'-biquinolyl","","- C28 H28 I2 N4 O4 -","- C28 H28 I2 N4 O4 -","- C112 H112 I8 N16 O16 -","4","1","","Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.","Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls","The Journal of Organic Chemistry","2005","70","1","373","376","10.1021/jo048258l","","","0.71073","MoKα","","0.0603","0.0352","","","0.0775","0.086","","","","","","1.025","","","","has coordinates","270064","2021-10-23","04:42:05",""
"4020005","9.7483","0.0014","17.536","0.003","21.06","0.003","90","","90","","90","","3600.1","0.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 N2 O2 P2 Pd -","- C44 H38 N2 O2 P2 Pd -","- C176 H152 N8 O8 P8 Pd4 -","4","1","","Kevin R. Campos; Michel Journet; Sandra Lee; Edward J. J. Grabowski; Richard D. Tillyer","","Journal of Organic Chemistry","2005","70","","268","274","10.1021/jo048305+","","","0.71073","MoKα","","0.0578","0.0469","","","0.0873","0.0904","","","","","","0.895","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020006","9.5","0.0019","10.95","0.002","11.14","0.002","62.38","0.03","79.77","0.03","80.06","0.03","1005","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","8-Benzyloxycarbonylaminomethyl-1-phenyl-2-thia-6-aza-bicyclo[4.2.0]octan-7-one","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C42 H44 N4 O6 S2 -","2","1","","Xu, J. X.; Jiao, Lei; Liang, Yong; Zhang, Shiwei","","Journal of Organic Chemistry","2005","70","","334","337","10.1021/jo048328o","","x-ray","0.71073","MoKα","","0.0927","0.0563","","","0.1439","0.1545","","","","","","1.018","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020007","6.7258","0.0004","14.2377","0.001","16.1488","0.0011","90","","96.325","0.004","90","","1536.99","0.18","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","1","","Takahiro Tokuyasu; Shigeki Kunikawa; Kevin J. McCullough; Araki Masuyama; Masatomo Nojima","","Journal of Organic Chemistry","2005","70","","251","260","10.1021/jo048359j","","","0.71073","MoKα","","0.0581","0.043","","","0.1257","0.1342","","","","","","1.106","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020008","8.0723","0.0016","12.111","0.002","34.684","0.007","90","","90","","90","","3391","1.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C152 H136 N24 O8 -","8","2","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.1149","0.0462","","","0.0825","0.0986","","","","","","1.031","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020009","15.139","0.003","7.9773","0.0016","10.163","0.002","90","","90","","90","","1227.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.0706","0.0492","","","0.0887","0.0957","","","","","","1.125","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020010","7.1662","0.0014","7.6325","0.0015","23.207","0.005","90","","90","","90","","1269.3","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13.5 Cl2 N2 Zn -","- C9 H13.5 Cl2 N2 Zn -","- C36 H54 Cl8 N8 Zn4 -","4","1","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.1261","0.0956","","","0.1703","0.1787","","","","","","1.378","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020011","10.6675","0.0004","11.0586","0.0005","16.5092","0.0007","90","","90","","90","","1947.55","0.14","198","2","198","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C80 H120 N8 O24 -","8","1","","Mingshi Dai; Xuqing Zhang; Seock-Kyu Khim; Arthur G. Schultz","","Journal of Organic Chemistry","2005","70","","384","387","10.1021/jo048408s","","","0.71073","MoKα","","0.0312","0.0303","","","0.081","0.0822","","","","","","1.034","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020012","19.3269","0.0009","13.4544","0.0007","19.8413","0.0009","90","","90","","90","","5159.4","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H34 N2 O2 -","- C32 H33.33 N2 O2 -","- C256 H266.64 N16 O16 -","8","1","","Shoji, Mitsuru; Imai, Hiroki; Mukaida, Makoto; Sakai, Ken; Kakeya, Hideaki; Osada, Hiroyuki; Ayashi, Yujiro","The Total Synthesis of Epoxyquinols A, B, C and RKB-3564D and the Reactivity of a 2H-Pyran Derivative as the Diene Component in the Diels-Alder Reaction","Journal of Organic Chemistry","2005","70","","79","91","10.1021/jo048425h","","","0.71073","MoKα","","0.08","0.0647","","","0.1339","0.1407","","","","","","1.204","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020013","16.04","0.06","9.16","0.03","16.62","0.1","90","","117.75","0.04","90","","2162.7","1.7","193.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H72 I2 N2 Sn2 -","- C26 H14 I2 N2 Sn2 -","- C52 H28 I4 N4 Sn4 -","2","1","","Robert E. Gawley; Sanjay Narayan; David A. Vicic","Absolute Configuration of 2-(Tributylstannyl)pyrrolidine by Anomalous Dispersion X-ray Analysis","Journal of Organic Chemistry","2005","70","","328","329","10.1021/jo048569w","","","0.7107","MoKα","","","0.097","","","","0.144","","","","","","14.209","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020014","16.6111","0.0004","16.6111","0.0004","14.6749","0.0008","90","","90","","120","","3506.7","0.2","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C12 H36 Cl Cu8 F6 O12 P7 S12 -","- C12 H36 Cl Cu8 F6 O12 P7 S12 -","- C36 H108 Cl3 Cu24 F18 O36 P21 S36 -","3","0.166667","","Gerald F. Manbeck; Adam J. Lipman; Robert A. Stockland, Jr.; Adrienne L. Freidl; Amy F. Hasler; Joshua J. Stone; Ilia A. Guzei","Organosoluble Copper Clusters as Precatalysts for Carbon-Heteroelement Bond-Forming Reactions: Microwave and Conventional Heating","Journal of Organic Chemistry","2005","70","","244","250","10.1021/jo048761y","","","0.71073","MoKα","","0.0227","0.0218","","","0.057","0.0577","","","","","","1.066","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020015","6.589","0.001","8.452","0.001","10.757","0.001","108.41","0.01","96.9","0.01","92.79","0.01","561.9","0.1","293","2","293","2","","","","","","","","3","P 1","P 1","1","","3B,8A,9B-TRIACETOXY-4A-HYDROXY-7-EPI-EUDESMANE","","- C21 H36 O8 -","- C21 H36 O8 -","- C21 H36 O8 -","1","1","","García-Granados, A.; Gutiérrez, M.C.; Martínez, A.; Rivas, F.","Enzyme-catalyzed rearrangement of a diepoxy-germacrane compound into a new 7-epi-eudesmane derivative","Journal of Organic Chemistry","2005","70","","338","341","10.1021/jo048783k","","","0.71073","MoKα","","0.048","0.0449","","","0.145","0.1532","","","","","","0.804","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020016","12.511","0.014","5.682","0.008","18.53","0.02","90","","102.443","0.01","90","","1286","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","1","","Francesca Aulenta; Michael G.B. Drew; Alison Foster; Wayne Hayes; Steven Rannard; David W. Thornthwaite; David R. Worrall; Tristan G.A. Youngs","","Journal of Organic Chemistry","2005","70","","63","78","10.1021/jo048799a","","","0.71073","MoKα","","0.1252","0.0953","","","0.1773","0.1895","","","","","","1.264","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020017","12.6","0.015","6.37","0.009","14.56","0.017","90","","98.771","0.01","90","","1155","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Francesca Aulenta; Michael G.B. Drew; Alison Foster; Wayne Hayes; Steven Rannard; David W. Thornthwaite; David R. Worrall; Tristan G.A. Youngs","","Journal of Organic Chemistry","2005","70","","63","78","10.1021/jo048799a","","","0.71073","MoKα","","0.1562","0.1129","","","0.2632","0.2979","","","","","","1.201","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020018","9.7591","0.0009","11.4941","0.001","13.7768","0.0012","78.389","0.001","83.621","0.002","65.844","0.001","1380.5","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C80 H52 O4 -","2","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.08","0.044","","","0.0774","0.0858","","","","","","0.847","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020019","11.4168","0.0012","11.4846","0.0012","12.6673","0.0013","100.841","0.002","113.661","0.002","95.133","0.002","1468.8","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","VAPOL","","","- C42 H30 O3 -","- C42 H30 O3 -","- C84 H60 O6 -","2","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1378","0.0712","","","0.1904","0.2717","","","","","","0.979","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020020","11.4378","0.0009","11.8855","0.0009","13.221","0.001","93.018","0.001","110.931","0.001","113.913","0.001","1493","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","VAPOL","","","- C43.5 H26 O2 -","- C43.5 H26 O2 -","- C87 H52 O4 -","2","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.0989","0.0745","","","0.1665","0.1788","","","","","","1.125","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020021","11.422","0.003","11.422","0.003","40.05","0.02","90","","90","","120","","4525","3","153","2","153","2","","","","","","","","4","P 32 2 1","P 32 2""","154","VAPOL","","","- C40.5 H27 Cl O2 -","- C40.5 H27 Cl O2 -","- C243 H162 Cl6 O12 -","6","1","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1009","0.0672","","","0.1208","0.1536","","","","","","0.873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020022","11.174","0.001","13.185","0.001","56.18","0.005","90","","90","","90","","8277","1.2","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C480 H312 O24 -","12","3","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1388","0.0703","","","0.122","0.1526","","","","","","0.8","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020023","8.2629","0.0004","8.2629","0.0004","41.448","0.003","90","","90","","90","","2829.9","0.3","153","2","153","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C160 H104 O8 -","4","0.5","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.0739","0.065","","","0.115","0.1181","","","","","","1.237","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020024","15.881","0.0003","8.831","0.0002","18.638","0.0004","90","","121.089","0.0009","90","","2238.44","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","noe-si","AcNH-C4Ser-CH2O-SiPh2tBu","","- C23 H31 N O3 Si -","- C23 H31 N O3 Si -","- C92 H124 N4 O12 Si4 -","4","1","","Alberto Avenoza; Jesus H Busto; Noelia Canal; Jesus M Peregrina","","Journal of Organic Chemistry","2005","70","","330","333","10.1021/jo048943s","","","0.71073","MoKα","","0.0682","0.0501","","","0.1314","0.144","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020025","15.0571","0.0005","8.5111","0.0003","9.6337","0.0003","90","","105.119","0.0007","90","","1191.88","0.08","128","2","128","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ac-Glu(Oet)-OMe","2-acetamido-4-etoxicarbonilbutanoato de metilo","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C40 H68 N4 O20 -","4","1","","Alberto Avenoza; Jesus H Busto; Noelia Canal; Jesus M Peregrina","","Journal of Organic Chemistry","2005","70","","330","333","10.1021/jo048943s","","","0.71073","MoKα","","0.1","0.0728","","","0.2017","0.2225","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020026","10.9138","0.0002","14.241","0.0004","15.8931","0.0004","83.7604","0.0016","69.9967","0.0016","76.1331","0.0009","2252.53","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","noe-13-6","(Z)-2-hidroxi-1-TBDPS-1-acetamidociclobutano","","- C23 H31 N O3 Si -","- C46 H62 N2 O6 Si2 -","- C92 H124 N4 O12 Si4 -","2","1","","Alberto Avenoza; Jesus H Busto; Noelia Canal; Jesus M Peregrina","","Journal of Organic Chemistry","2005","70","","330","333","10.1021/jo048943s","","","0.71073","MoKα","","0.1294","0.0608","","","0.1445","0.1742","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020027","5.122","0.003","17.263","0.008","21.099","0.007","90","","90","","90","","1865.6","1.5","153.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O6 -","- C20 H17 Br O6 -","- C80 H68 Br4 O24 -","4","1","","Hiroyuki Suga; Kei Inoue; Shuichi Inoue; Akikazu Kalehi; Motoo Shiro","","Journal of Organic Chemistry","2005","70","","47","56","10.1021/jo049007f","","","0.7107","MoKα","","","0.026","","","","0.0521","","","","","","1.025","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020028","14.1821","0.0004","11.6288","0.0004","14.4777","0.0004","90","","90","","90","","2387.67","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C104 H144 Cl8 N8 O8 -","8","1","","Albert Padwa; Paitoon Rashatasakhon; Ayse Daut Ozdemir; Jerremey Willis","","Journal of Organic Chemistry","2005","70","","519","528","10.1021/jo048314i","","","1.54178","CuKα","","0.0514","0.0463","","","0.1156","0.1181","","","","","","1.215","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020029","7.7918","0.0013","19.181","0.003","10.7621","0.0018","90","","102.2","0.003","90","","1572.1","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","2","","Kazuaki Katakawa; Mariko Kitajima; Norio Aimi; Hiroko Seki; Kentaro Yamaguchi; Kazuo Furihata; Takashi Harayama; Hiromitsu Takayama","","Journal of Organic Chemistry","2005","70","","658","663","10.1021/jo0483825","","","0.71073","MoKα","","0.1437","0.0715","","","0.1576","0.2011","","","","","","0.917","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020030","7.698","0.002","20.7","0.005","11.647","0.003","90","","104","3","90","","1798","26","100.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 N O3 -","- C19 H31 N O3 -","- C76 H124 N4 O12 -","4","2","","Kazuaki Katakawa; Mariko Kitajima; Norio Aimi; Hiroko Seki; Kentaro Yamaguchi; Kazuo Furihata; Takashi Harayama; Hiromitsu Takayama","","Journal of Organic Chemistry","2005","70","","658","663","10.1021/jo0483825","","","0.7107","MoKα","","","0.0496","","","","0.0717","","","","","","0.949","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020031","8.2604","0.0015","8.8032","0.0016","12.583","0.002","84.95","0.004","79.407","0.004","66.465","0.004","824.5","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","1-isopropyl-2-[1-(2-isopropylphenyl)vinyl]benzene","","- C20 H24 -","- C20 H24 -","- C40 H48 -","2","1","","Lodovico Lunazzi; Andrea Mazzanti; Mirko Minzoni","Stereomutations of two-Bladed Propeller Derivatives: ortho-Substituted Diaryl-Ethylene and Diaryl-Ketone.","Journal of Organic Chemistry","2005","70","","456","462","10.1021/jo0483926","","","0.71073","MoKα","","0.086","0.0637","","","0.1962","0.2136","","","","","","1.074","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020032","12.26","0.003","7.9032","0.0016","23.177","0.005","90","","90","","90","","2245.7","0.9","84","2","84","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","methylphenylthioether","","","- C12 H16 S2 -","- C12 H16 S2 -","- C96 H128 S16 -","8","1","","Reginald H. Mitchell; Rachel Blunden; Gavin Hollett; Subhajit Bandyopadhyay; Richard Vaughan Williams; Brendan Twamley","","Journal of Organic Chemistry","2005","70","","675","680","10.1021/jo0484272","","","0.71073","MoKα","","0.0794","0.0504","","","0.1146","0.1291","","","","","","1.087","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020033","13.258","0.003","6.215","0.001","17.517","0.013","90","","94.7","0.03","90","","1438.5","1.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(p-trifluoromethylphenyl)buta-1,3-diyne","","- C18 H8 F6 -","- C18 H8 F6 -","- C72 H32 F24 -","4","1","","Batsanov, Andrei S.; Collings, Jonathan C.; Fairlamb, Ian J. S.; Holland, J. P.; Howard, J. A. K.; Lin, Z.; Marder, T. B.; Parsons, A. C.; Ward, R. M.; Zhu, J.","","Journal of Organic Chemistry","2005","70","","703","706","10.1021/jo048428u","","","0.71073","MoKα","","0.0595","0.0447","","","0.1142","0.1205","","","","","","1.057","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020034","21.693","0.002","7.4264","0.0004","21.2705","0.0016","90","","111.716","0.007","90","","3183.5","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-[4-Bromo-5-(hydroxyphenylmethyl)-thiazol-2-yl]-2,2-dimethylpropanamide","","- C15 H17 Br N2 O2 S -","- C15 H17 Br N2 O2 S -","- C120 H136 Br8 N16 O16 S8 -","8","1","","Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic","","Journal of Organic Chemistry","2005","70","","567","574","10.1021/jo0484326","","","0.71073","MoKα","","0.0533","0.0409","","","0.1053","0.1137","","","","","","1.036","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020035","11.9778","0.0013","7.1149","0.0008","14.3189","0.0016","90","","99.461","0.002","90","","1203.7","0.2","297","2","297","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","N-[5-Bromo-3-methyl-thiazol-2(3H)-ylidene]-2,2-dimethylpropanamide","","- C9 H13 Br N2 O S -","- C9 H13 Br N2 O S -","- C36 H52 Br4 N8 O4 S4 -","4","1","","Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic","","Journal of Organic Chemistry","2005","70","","567","574","10.1021/jo0484326","","","0.71073","MoKα","","0.0571","0.041","","","0.1151","0.1268","","","","","","1.06","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020036","9.0101","0.0007","10.5938","0.0008","30.086","0.002","90","","91.797","0.002","90","","2870.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydro-2-phenylimino-thiazole-3-carboxylic acid 1,1-dimethylethylester","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","2","","Peter Stanetty; Michael Schnürch; Kurt Mereiter; Marko D. Mihovilovic","","Journal of Organic Chemistry","2005","70","","567","574","10.1021/jo0484326","","","0.71073","MoKα","","0.0684","0.05","","","0.105","0.1122","","","","","","1.062","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020037","12.5501","0.0004","12.5501","0.0004","29.4265","0.0014","90","","90","","90","","4634.8","0.3","158","","158","","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C40 H56 Fe2 I2 N2 O2 Pd2 Si2 -","- C40 H56 Fe2 I2 N2 O2 Pd2 Si2 -","- C160 H224 Fe8 I8 N8 O8 Pd8 Si8 -","4","0.5","","Carolyn E. Anderson; Yariv Donde; Christopher J. Douglas; Larry E. Overman","","Journal of Organic Chemistry","2005","70","","648","657","10.1021/jo048490r","","","0.71073","MoKα","","0.0211","0.0195","","0.0403","0.0399","","","","1.159","1.167","1.167","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4020038","12.3661","0.0006","12.3661","0.0006","31.502","0.003","90","","90","","90","","4817.3","0.5","153","","153","","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C44 H64 Fe2 I2 N2 O4 Pd2 Si2 -","- C44 H64 Fe2 I2 N2 O4 Pd2 Si2 -","- C176 H256 Fe8 I8 N8 O16 Pd8 Si8 -","4","0.5","","Carolyn E. Anderson; Yariv Donde; Christopher J. Douglas; Larry E. Overman","","Journal of Organic Chemistry","2005","70","","648","657","10.1021/jo048490r","","","0.71073","MoKα","","0.0348","0.028","","0.0638","0.0617","","","","1.125","1.141","1.141","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4020039","15.627","0.003","15.627","0.003","9.717","0.003","90","","90","","90","","2373","0.9","173","2","173","2","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C50 H34 I6 -","- C50 H34 I6 -","- C100 H68 I12 -","2","0.25","","Kenji Kobayashi; Norifumi Kobayashi; Masahiro Ikuta; Bruno Therrien; Shigeru Sakamoto; Kentaro Yamaguchi","","Journal of Organic Chemistry","2005","70","","749","752","10.1021/jo048521i","","","0.71073","MoKα","","0.1055","0.0587","","","0.1524","0.197","","","","","","1.069","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020040","11.637","0.004","13.29","0.004","18.076","0.005","92.762","0.004","102.061","0.004","111.491","0.004","2519.9","1.2","100.2","","100.2","","","","","","","","","3","P -1","-P 1","2","","","","- C55 H53 O12.5 -","- C55 H25 O12.25 -","- C110 H50 O24.5 -","2","1","","Kenji Kobayashi; Norifumi Kobayashi; Masahiro Ikuta; Bruno Therrien; Shigeru Sakamoto; Kentaro Yamaguchi","","Journal of Organic Chemistry","2005","70","","749","752","10.1021/jo048521i","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020041","7.892","0.002","7.1872","0.0008","11.873","0.003","90","","98.59","0.02","90","","665.9","0.3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 F3 N O2 -","- C13 H14 F3 N O2 -","- C26 H28 F6 N2 O4 -","2","1","","Nguyen Thi Ngoc Tam; Guillaume Magueur; Michèle Ourévitch; Benoit Crousse; Jean-Pierre Bégué; Danièle Bonnet-Delpon","","Journal of Organic Chemistry","2005","70","","699","702","10.1021/jo0485233","","","0.71073","MoKα","","0.0905","0.0672","","0.1116","0.0811","0.0811","","","","","","1.0238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020042","6.1456","0.0003","10.4226","0.0006","18.8079","0.001","90","","90","","90","","1204.7","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","1","","Bhalchandra V. Joshi; Hyung Ryong Moon; James C. Fettinger; Victor E. Marquez; Kenneth A. Jacobson","","Journal of Organic Chemistry","2005","70","","439","447","10.1021/jo0487606","","","0.71073","MoKα","","0.0406","0.0323","","","0.0766","0.0804","","","","","","1.123","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020043","9.741","0.006","4.787","0.004","27.44","0.02","90","","97.63","0.06","90","","1268","1","93.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H17 N O3 -","- C14 H12 N O3 -","- C56 H48 N4 O12 -","4","1","","Azusa Sato; Hisanaka Ito; Takeo Taguchi","","Journal of Organic Chemistry","2005","70","","709","712","10.1021/jo0489216","","","0.7107","MoKα","","","0.072","","","","0.154","","","","","","1.051","","","","has coordinates,has disorder","178378","2020-10-21","18:00:00",""
"4020044","17.5307","0.0015","17.4709","0.0015","25.626","0.002","90","","105.381","0.001","90","","7567.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C78 H104 O26 -","- C78 H98 O26 -","- C312 H392 O104 -","4","1","","Huang, Feihe; Zakharov, Lev N.; Rheingold, Arnold L.; Ashraf-Khorassani, Mehdi","Synthesis of a Symmetric Cylindrical Bis(crown ether) Host and Its Complexation with Paraquat","Journal of Organic Chemistry","2005","70","","809","813","10.1021/jo048111u","","","0.71073","MoKα","","0.0818","0.0622","","","0.1517","0.1628","","","","","","1.071","","","","has coordinates,has disorder","178378","2020-10-21","18:00:00",""
"4020045","14.0015","0.0012","20.6348","0.0018","20.0547","0.0018","90","","101.645","0.001","90","","5674.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H129 F24 N7 O24 P4 -","- C96 H120 F24 N4 O24 P4 -","- C192 H240 F48 N8 O48 P8 -","2","0.5","","Huang, Feihe; Zakharov, Lev N.; Rheingold, Arnold L.; Ashraf-Khorassani, Mehdi","Synthesis of a Symmetric Cylindrical Bis(crown ether) Host and Its Complexation with Paraquat","Journal of Organic Chemistry","2005","70","","809","813","10.1021/jo048111u","","","0.71073","MoKα","","0.1428","0.1101","","","0.3122","0.3366","","","","","","1.092","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020046","11.833","0.002","15.927","0.003","15.686","0.003","90","","110.56","0.03","90","","2768.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H18 Cl2 O6 -","- C35 H18 Cl2 O6 -","- C140 H72 Cl8 O24 -","4","1","","Xiao-Zhang Zhu; Chuan-Feng Chen","","Journal of Organic Chemistry","2005","70","","917","924","10.1021/jo0483015","","","0.71073","MoKα","","0.1571","0.0685","","","0.1537","0.1811","","","","","","1.081","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020047","6.608","0.0011","8.373","0.0005","12.307","0.0008","100.772","0.005","98.244","0.009","111.589","0.008","605","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","""1-methyl-1-(2-oxo-propyl)-4a,5,8,8a-tetrahydro-1H-naphthalen-2-0ne"".","","","- C14 H18 O2 -","- C14 H18 O2 -","- C28 H36 O4 -","2","1","","Vishwakarma Singh; Sridhar R. Iyer; Shaikh M. Mobin","","Journal of Organic Chemistry","2005","70","","973","981","10.1021/jo048320e","","","0.7093","MoKα","","0.0969","0.0523","","","0.1167","0.1392","","","","","","1.067","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020048","9.147","0.001","24.654","0.003","10.642","0.002","90","","103.71","0.01","90","","2331.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N O7 -","- C23 H33 N O7 -","- C92 H132 N4 O28 -","4","1","","Kay M. Brummond; Sang-phyo Hong","","Journal of Organic Chemistry","2005","70","","907","916","10.1021/jo0483567","","","0.71073","MoKα","","0.1036","0.0487","","0.1382","0.1099","","","","1.041","1.162","1.162","","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020049","9.1321","0.0004","9.1935","0.0004","22.2192","0.001","80.69","0.001","82.866","0.001","69.114","0.001","1715.42","0.13","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H45 N O7 -","- C37 H45 N O7 -","- C74 H90 N2 O14 -","2","2","","Kay M. Brummond; Sang-phyo Hong","","Journal of Organic Chemistry","2005","70","","907","916","10.1021/jo0483567","","","0.71073","MoKα","","0.0991","0.0632","","","0.1585","0.173","","","","","","1.164","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020050","10.1891","0.0004","15.7633","0.0007","26.655","0.001","90","","90","","90","","4281.2","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N O2 P -","- C28 H20 N O2 P -","- C224 H160 N8 O16 P8 -","8","2","","Heiko Bernsmann; Michel van den Berg; Rob Hoen; Adriaan J. Minnaard; Gerlinde Mehler; Manfred T. Reetz; Johannes G. de Vries; Ben L. Feringa","","Journal of Organic Chemistry","2005","70","","943","951","10.1021/jo048374o","","","0.71073","MoKα","","0.0422","0.0385","","","0.0957","0.0971","","","","","","0.993","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020051","9.4395","0.0011","11.589","0.0014","15.0764","0.0018","90","","104.516","0.002","90","","1596.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","1","","Shengming Ma; Lianghua Lu; Ping Lu","","Journal of Organic Chemistry","2005","70","","1063","1065","10.1021/jo048430l","","","0.71073","MoKα","","0.0965","0.0455","","","0.0801","0.0927","","","","","","0.833","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020052","9.605","0.004","12.504","0.005","12.317","0.005","90","","115.094","0.004","90","","1339.7","1","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl P Se -","- C12 H16 Cl P Se -","- C48 H64 Cl4 P4 Se4 -","4","1","","Tsutomu Kimura; Toshiaki Murai","","Journal of Organic Chemistry","2005","70","","952","959","10.1021/jo0484979","","","0.7107","MoKα","","","0.0361","","","","0.0979","","","","","","1.065","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020053","7.542","0.004","17.893","0.009","14.607","0.008","90","","96.622","0.006","90","","1958","1","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 P S Se Si -","- C15 H27 P S Se Si -","- C60 H108 P4 S4 Se4 Si4 -","4","1","","Tsutomu Kimura; Toshiaki Murai","","Journal of Organic Chemistry","2005","70","","952","959","10.1021/jo0484979","","","0.7107","MoKα","","","0.0465","","","","0.0903","","","","","","1.002","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020054","7.51","0.001","13.032","0.002","17.576","0.002","90","","99.495","0.008","90","","1696.5","0.4","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 P Se2 -","- C16 H19 P Se2 -","- C64 H76 P4 Se8 -","4","1","","Tsutomu Kimura; Toshiaki Murai","","Journal of Organic Chemistry","2005","70","","952","959","10.1021/jo0484979","","","0.7107","MoKα","","","0.0398","","","","0.0682","","","","","","0.81","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020055","9.555","0.0002","6.4178","0.0001","10.1281","0.0002","90","","104.113","0.001","90","","602.33","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C28 H44 O4 -","2","1","","Jamie B. Scaglione; Nigam P. Rath; Douglas F. Covey","","Journal of Organic Chemistry","2005","70","","1089","1092","10.1021/jo048561m","","","0.71073","MoKα","","0.0409","0.0359","","","0.0855","0.0885","","","","","","1.052","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020056","7.3819","0.0002","16.9618","0.0007","22.3703","0.0008","90","","90","","90","","2800.99","0.17","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C112 H96 N16 O48 -","8","1","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0679","0.0435","","","0.1021","0.1159","","","","","","1.02","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020057","7.9575","0.0001","8.8478","0.0001","17.3936","0.0003","87.621","0.001","79.699","0.001","73.659","0.001","1156.16","0.03","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N3 O6 S -","- C26 H23 N3 O6 S -","- C52 H46 N6 O12 S2 -","2","1","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0448","0.0364","","","0.0897","0.0949","","","","","","1.045","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020058","7.9615","0.0002","9.9599","0.0002","38.3334","0.001","90","","90","","90","","3039.68","0.13","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0614","0.0418","","","0.0862","0.0936","","","","","","1.022","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020059","17.2915","0.0015","10.6152","0.0008","5.8951","0.0004","90","","90","","90","","1082.06","0.14","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","1","","Guindon, Yvan; Brigitte Guérin; Cardinal-David, Benoit","Structure of GUIN23","Journal of Organic Chemistry","2005","70","","776","784","10.1021/jo048687j","","","1.54178","CuKα","","0.0853","0.0743","","","0.2162","0.2277","","","","","","1.073","","","","has coordinates","201926","2020-10-21","18:00:00",""
"4020060","5.178","0.001","7.536","0.001","14.232","0.001","95.17","0.009","99.84","0.01","108.99","0.01","511.03","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (2R*,3aS*)-2-(Aminocarbonyl) tetrahydropyrrolo[1,2-b]isoxazole-3a(4H)-carboxylate","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C18 H28 N4 O8 -","2","1","","Franca M. Cordero; Federica Pisaneschi; Karina Meschini Batista; Silvia Valenza; Fabrizio Machetti; Alberto Brandi","","Journal of Organic Chemistry","2005","70","","856","867","10.1021/jo0487653","","","1.54178","CuKα","","0.0504","0.0485","","","0.1239","0.1262","","","","","","1.065","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020061","6.527","0.001","10.719","0.001","23.553","0.003","90","0.007","90","0.007","90","0.008","1647.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2R,7aR)-3-Oxo-2-{[(1R)-1-phenylethyl]amino} tetrahydro-1H-pyrrolizine-7a(5H)-carboxylate","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","1","","Franca M. Cordero; Federica Pisaneschi; Karina Meschini Batista; Silvia Valenza; Fabrizio Machetti; Alberto Brandi","","Journal of Organic Chemistry","2005","70","","856","867","10.1021/jo0487653","","","1.54178","CuKα","","0.0389","0.0387","","","0.1089","0.1094","","","","","","1.047","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020062","15.9446","0.0012","16.674","0.0013","6.3663","0.0005","90","","90","","90","","1692.5","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H21 Cl2 N O -","- C17 H21 Cl2 N O -","- C68 H84 Cl8 N4 O4 -","4","1","","Yu-Gui Si; Song-Po Guo; Wan-Jun Wang; Biao Jiang","","Journal of Organic Chemistry","2005","70","","1494","1496","10.1021/jo048101t","","","0.71073","MoKα","","0.0552","0.0422","","","0.0885","0.0933","","","","","","0.952","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020063","10.814","0.0001","13.7985","0.0002","23.5044","0.0003","90","","90","","90","","3507.26","0.07","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C152 H160 O56 -","8","1","","Craig I. Turner; Michael N. Paddon-Row; Anthony C. Willis; Michael S. Sherburn","","Journal of Organic Chemistry","2005","70","","1154","1163","10.1021/jo048108a","","","0.71073","MoKα","","0.0392","0.0339","","0.0451","0.041","0.041","","","","","","1.0803","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020064","8.8162","0.0001","10.3256","0.0002","19.0296","0.0003","90","","94.8911","0.0006","90","","1726.01","0.05","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C76 H80 O28 -","4","1","","Craig I. Turner; Michael N. Paddon-Row; Anthony C. Willis; Michael S. Sherburn","","Journal of Organic Chemistry","2005","70","","1154","1163","10.1021/jo048108a","","","0.71073","MoKα","","0.0371","0.0318","","0.0424","0.0386","0.0386","","","","","","1.112","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020065","8.549","0.004","10.236","0.004","35.646","0.015","90","","90","","90","","3119","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Isoxazolidine","","","- C32 H37 N O8 S -","- C32 H37 N O8 S -","- C128 H148 N4 O32 S4 -","4","1","","Narayan S. Karunjule; Shankar D. Markad; Tarun Sharma; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","","Journal of Organic Chemistry","2005","70","","1356","1363","10.1021/jo048176x","","","0.71073","MoKα","","0.0584","0.044","","","0.0976","0.1099","","","","","","1.126","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020066","6.0773","0.0014","18.504","0.004","13.822","0.003","90","","98.045","0.005","90","","1539","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Isoxazolidine","","","- C32 H37 N O8 S -","- C32 H37 N O8 S -","- C64 H74 N2 O16 S2 -","2","1","","Narayan S. Karunjule; Shankar D. Markad; Tarun Sharma; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","","Journal of Organic Chemistry","2005","70","","1356","1363","10.1021/jo048176x","","","0.71073","MoKα","","0.0912","0.0471","","","0.0831","0.095","","","","","","1.014","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020067","9.14","0.0018","11.024","0.002","12.862","0.003","66.1","0.03","83.81","0.03","86.17","0.03","1177.5","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H9 Cl9 -","- C26 H8 Cl9.0015 -","- C52 H16 Cl18.003 -","2","1","","Su-Yuan Xie; Yin Peng; Meng Chen; Rong-Bin Huang; Yuan L. Chow; Lan-Sun Zheng","","Journal of Organic Chemistry","2005","70","","1400","1407","10.1021/jo048190+","","","0.71073","MoKα","","0.1699","0.0721","","","0.1425","0.1832","","","","","","1.022","","","","has coordinates","201202","2020-10-21","18:00:00",""
"4020068","18.836","0.003","14.828","0.003","14.441","0.003","90","","99.516","0.003","90","","3978.1","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 Cl3 N2 O4 -","- C49 H36 Cl3 N2 O4 -","- C196 H144 Cl12 N8 O16 -","4","0.5","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1535","0.0777","","","0.2011","0.248","","","","","","1.039","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020069","19.55","0.003","14.449","0.002","14.925","0.002","90","","96.767","0.003","90","","4186.7","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H42 N2 O4.5 -","- C52 H42 N2 O4.5 -","- C208 H168 N8 O18 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1289","0.0908","","","0.26","0.2954","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020070","11.2677","0.0019","16.808","0.003","25.638","0.004","90","","90","","90","","4855.5","1.4","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H50 N2 O6 -","- C62 H50 N2 O6 -","- C248 H200 N8 O24 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1616","0.0818","","","0.1983","0.2358","","","","","","0.847","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020071","22.015","0.005","13.7857","0.0008","14.917","0.002","90","","108.93","0.02","90","","4282","1","298.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 N2 O4 -","- C54 H46 N2 O4 -","- C216 H184 N8 O16 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","1.5418","CuKα","","","0.0534","","","","0.0736","","","","","","1.696","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020072","21.571","0.004","10.548","0.002","19.756","0.003","90","","107.503","0.003","90","","4286","1","273.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 N2 O4 -","- C50 H54 N2 O4 -","- C200 H216 N8 O16 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.7107","MoKα","","","0.0685","","","","0.0768","","","","","","1.702","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020073","11.133","0.006","9.044","0.002","12.669","0.005","90","","90.45","0.04","90","","1275.6","0.7","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 N O3 -","- C29 H33 N O3 -","- C58 H66 N2 O6 -","2","1","","Stéphanie Desvergnes; Sandrine Py; Yannick Vallée","","Journal of Organic Chemistry","2005","70","","1459","1462","10.1021/jo048237r","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020074","6.102","0.002","9.911","0.004","30.75","0.01","90","","90","","90","","1859","1","150.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C96 H100 N4 O12 -","4","1","","Takashi Sakai; Yu Liu; Hiroshi Ohta; Toshinobu Korenaga; Tadashi Ema","","Journal of Organic Chemistry","2005","70","","1369","1375","10.1021/jo048243n","","","0.7107","MoKα","","","0.0694","","","","0.1851","","","","","","1.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020075","5.6757","0.001","21.665","0.004","16.651","0.003","90","","94.057","0.003","90","","2042.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 S2 -","- C16 H10 O2 S2 -","- C96 H60 O12 S12 -","6","1.5","","Yasuo Miyata; Tohru Nishinaga; Koichi Komatsu","Synthesis and Structural, Electronic, and Optical Properties of Oligo(thienylfuran)s in Comparison with Oligothiophenes and Oligofurans","Journal of Organic Chemistry","2005","70","","1147","1153","10.1021/jo048282z","","","0.71073","MoKα","","0.1615","0.0852","","","0.2019","0.2264","","","","","","1.094","","","","has coordinates,has disorder","178378","2020-10-21","18:00:00",""
"4020076","24.32","0.08","24.32","0.08","55.8","0.3","90","","90","","120","","28606","207","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C73 H80 Cl2 N2 O P2 Ru -","- C73 H72 Cl2 N2 O P2 Ru -","- C1314 H1296 Cl36 N36 O18 P36 Ru18 -","18","2","","Helen L. Ngo; Wenbin Lin","","Journal of Organic Chemistry","2005","70","","1177","1187","10.1021/jo048333s","","","0.71073","MoKα","","0.0932","0.0656","","","0.1416","0.1542","","","","","","1.086","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020077","5.8916","0.0004","8.8285","0.0005","26.731","0.0018","90","","90","","90","","1390.39","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 O2 -","- C14 H17 F3 O2 -","- C56 H68 F12 O8 -","4","1","","Alice E. Lurain; Patrick J. Carroll; Patrick J. Walsh","","Journal of Organic Chemistry","2005","70","","1262","1268","10.1021/jo048345d","","","0.71069","MoKα","","0.0505","0.0475","","","0.1255","0.1293","","","","","","1.068","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020078","17.069","0.006","5.886","0.002","12.681","0.005","90","","102.407","0.003","90","","1244.3","0.8","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H17 F O2 -","- C13 H17 F O2 -","- C52 H68 F4 O8 -","4","1","","Alice E. Lurain; Patrick J. Carroll; Patrick J. Walsh","","Journal of Organic Chemistry","2005","70","","1262","1268","10.1021/jo048345d","","","0.71069","MoKα","","0.0749","0.0598","","","0.1515","0.1696","","","","","","1.111","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020079","8.7951","0.0011","9.1204","0.0012","11.2495","0.0014","80.729","0.002","78.798","0.002","70.32","0.002","829","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","Qinghai Zhang; Wei Xu; Xiyan Lu","","Journal of Organic Chemistry","2005","70","","1505","1507","10.1021/jo048414o","","","0.71073","MoKα","","0.0628","0.0476","","","0.1236","0.1317","","","","","","0.948","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020080","17.2682","0.0007","14.3146","0.0005","25.106","0.001","90","","90","","90","","6205.9","0.4","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C67.5 H77.25 N1.75 O12 -","- C67.5 H77.25 N1.75 O12 -","- C270 H309 N7 O48 -","4","1","","Anh Huu Tran; David O. Miller; Paris E. Georghiou","","Journal of Organic Chemistry","2005","70","","1115","1121","10.1021/jo0484427","","","0.71073","MoKα","","0.0476","0.0395","","","0.1053","0.111","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020081","6.435","0.005","6.853","0.005","12.112","0.005","90","0.005","103.75","0.005","90","0.005","518.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2R,3R)-1-Phenyl-2-methyl-1,3-butanediol-(1R,2R,3R)-anti,anti-5","","- C11 H16 O2 -","- C11 H16 O2 -","- C22 H32 O4 -","2","1","","Agnese Abate; Elisabetta Brenna; Claudio Fuganti; Francesco G. Gatti; Tommaso Giovenzana; Luciana Malpezzi; Stefano Serra","","Journal of Organic Chemistry","2005","70","","1281","1290","10.1021/jo048445j","","","1.54179","CuKα","","0.0473","0.04","","","0.117","0.1234","","","","","","1.066","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020082","4.966","0.004","9.84","0.009","6.919","0.005","90","","107.73","0.03","90","","322.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4'-H~2~Bim","4,4'-Biimidazole","","- C6 H6 N4 -","- C6 H6 N4 -","- C12 H12 N8 -","2","0.5","","Yasushi Morita; Tsuyoshi Murata; Kozo Fukui; Satoru Yamada; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Hiroshi Kitagawa; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bonded Networks in Organic Conductors: Crystal Structures and Electronic Properties of Charge-Transfer Salts of Tetracyanoquinodimethane with 4,4'-Biimidazolium having Multi Protonated States","Journal of Organic Chemistry","2005","70","","2739","2744","10.1021/jo047768c","","","0.71069","MoKα","","0.0526","0.0382","","","0.084","0.089","","","","","","0.879","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020083","7.0007","0.0009","11.1965","0.0015","11.5453","0.0017","92.422","0.008","96.659","0.01","90.102","0.005","898","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","(4,4'-H~4~Bim)(TCNQ)~3~(H~2~O)~2~","Di-protonated 4,4'-Biimidazolium tetracyanoquinodimethide complex","","- C42 H24 N16 O2 -","- C42 H24 N16 O2 -","- C42 H24 N16 O2 -","1","0.5","","Yasushi Morita; Tsuyoshi Murata; Kozo Fukui; Satoru Yamada; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Hiroshi Kitagawa; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bonded Networks in Organic Conductors: Crystal Structures and Electronic Properties of Charge-Transfer Salts of Tetracyanoquinodimethane with 4,4'-Biimidazolium having Multi Protonated States","Journal of Organic Chemistry","2005","70","","2739","2744","10.1021/jo047768c","","","0.71075","MoKα","","0.1137","0.0594","","","0.1797","0.2243","","","","","","1.038","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020084","6.886","0.008","10.615","0.011","14.45","0.02","98.52","0.04","100.7","0.04","91.32","0.03","1025","2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","(4,4'-H~3~Bim)~2~(TCNQ)~3~","Mono-protonated 4,4'-biimidazolium tetracyanoquinodimethide complex","","- C48 H26 N20 -","- C48 H26 N20 -","- C48 H26 N20 -","1","0.5","","Yasushi Morita; Tsuyoshi Murata; Kozo Fukui; Satoru Yamada; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Hiroshi Kitagawa; Hideki Yamochi; Gunzi Saito; Kazuhiro Nakasuji","Hydrogen-Bonded Networks in Organic Conductors: Crystal Structures and Electronic Properties of Charge-Transfer Salts of Tetracyanoquinodimethane with 4,4'-Biimidazolium having Multi Protonated States","Journal of Organic Chemistry","2005","70","","2739","2744","10.1021/jo047768c","","","0.71075","MoKα","","0.0514","0.0401","","","0.1448","0.1569","","","","","","1.153","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020085","33.157","0.0006","8.369","0.0002","17.171","0.0004","90","","96.033","0.001","90","","4738.41","0.18","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C56 H54 O11 -","- C56 H54 O11 -","- C224 H216 O44 -","4","1","","Suvarn S. Kulkarni; Yi-Hung Liu; Shang-Cheng Hung","","Journal of Organic Chemistry","2005","70","","2808","2811","10.1021/jo047794a","","","0.71073","MoKα","","0.1441","0.093","","","0.2369","0.26","","","","","","1.593","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020086","6.5473","0.0002","10.862","0.0003","18.6055","0.0006","90","","90","","90","","1323.16","0.07","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1-Dibromo-2-(trans,trans-2-methoxy-1-methyl-3-phenylcyclopropyl)ethene","","- C13 H14 Br2 O -","- C13 H14 Br2 O -","- C52 H56 Br8 O4 -","4","1","","Gottschling, Stephen E.; Grant, Tina N.; Milnes, Kaarina K.; Jennings, Michael, C.; Baines, Kim M.","Cyclopropyl Alkynes as Mechanistic Probes to Distinguish Between Vinyl Radical and Ionic Intermediates","Journal of Organic Chemistry","2005","70","","2686","2695","10.1021/jo047797n","","","0.71073","MoKα","","0.0788","0.0611","","","0.1403","0.1512","","","","","","1.073","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020087","10.7665","0.0003","11.2765","0.0003","7.9422","0.0002","90","","100.695","0.001","90","","947.5","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-bromo-3-phenylcyclopent-3-en-2-one","","- C11 H9 Br O -","- C11 H9 Br O -","- C44 H36 Br4 O4 -","4","1","","Gottschling, Stephen E.; Grant, Tina N.; Milnes, Kaarina K.; Jennings, Michael, C.; Baines, Kim M.","Cyclopropyl Alkynes as Mechanistic Probes to Distinguish Between Vinyl Radical and Ionic Intermediates","Journal of Organic Chemistry","2005","70","","2686","2695","10.1021/jo047797n","","","0.71073","MoKα","","0.0814","0.0475","","","0.1193","0.1344","","","","","","1.042","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020088","12.3996","0.0002","9.324","0.0001","33.224","0.0005","90","","95.5013","0.0004","90","","3823.46","0.09","295.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C184 H136 N24 O16 -","8","2","","Sun-Liang Cui; Xu-Feng Lin; Yan-Guang Wang","","Journal of Organic Chemistry","2005","70","","2866","2869","10.1021/jo047823h","","","0.7107","MoKα","","","0.051","","","","0.131","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020089","13.45","0.01","19.8","0.01","18.97","0.01","90","","93.82","0.03","90","","5039.6","0.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H36 Cl2 Rh2 -","- C40 H36 Cl2 Rh2 -","- C240 H216 Cl12 Rh12 -","6","3","","Yusuke Otomaru; Kazuhiro Okamoto; Ryo Shintani; Tamio Hayashi","","Journal of Organic Chemistry","2005","70","","2503","2508","10.1021/jo047831y","","","0.7107","MoKα","","","0.029","","","","0.043","","","","","","2.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020090","9.2462","0.0006","8.8456","0.0006","32.222","0.002","90","","90","","90","","2635.3","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,11-dicyclopropylpyrido[2,3-e]Bis[1,2,4]triazolo[4,3-a:3',4'-c]pyrazine","","- C15 H13 N7 -","- C15 H13 N7 -","- C120 H104 N56 -","8","1","","Unciti-Broceta, A.; Pineda-de-las-Infantas, M.J.; Díaz-Mochón, J.J.; Romagnoli, R.; Baraldi, P.G.; Gallo, M.A.; Espinosa, A.","","Journal of Organic Chemistry","2005","70","","2878","2880","10.1021/jo0478398","","","0.71073","MoKα","","0.0726","0.0569","","","0.1302","0.1383","","","","","","1.136","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020091","9.9826","0.0009","14.2394","0.0013","15.8551","0.0014","100.842","0.001","106.831","0.001","97.898","0.001","2074.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-chloro-9-cyclopropylpyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazine","","- C11 H8 Cl N5 -","- C11 H8 Cl N5 -","- C88 H64 Cl8 N40 -","8","4","","Unciti-Broceta, A.; Pineda-de-las-Infantas, M.J.; Díaz-Mochón, J.J.; Romagnoli, R.; Baraldi, P.G.; Gallo, M.A.; Espinosa, A.","","Journal of Organic Chemistry","2005","70","","2878","2880","10.1021/jo0478398","","","0.71073","MoKα","","0.0932","0.0629","","","0.1224","0.1341","","","","","","1.059","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020092","7.545","0.002","17.79","0.006","8.415","0.003","90","","91.146","0.009","90","","1129.3","0.6","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 F3 N O3 -","- C9 H14 F3 N O3 -","- C36 H56 F12 N4 O12 -","4","1","","Gary A. Molander; Elizabeth Pollina Cormier","","Journal of Organic Chemistry","2005","70","","2622","2626","10.1021/jo047887s","","","0.71069","MoKα","","0.0663","0.0558","","","0.1499","0.1622","","","","","","1.1","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020093","6.7547","0.0009","7.2224","0.0009","34.039","0.004","90","","95.258","0.006","90","","1653.6","0.4","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","","Gary A. Molander; Elizabeth Pollina Cormier","","Journal of Organic Chemistry","2005","70","","2622","2626","10.1021/jo047887s","","","0.71069","MoKα","","0.1106","0.0796","","","0.2005","0.2234","","","","","","1.064","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020094","8.101","0.006","9.767","0.007","18.669","0.013","90","","90","","90","","1477.3","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O2 -","- C16 H17 Br O2 -","- C64 H68 Br4 O8 -","4","1","","Shengming Ma; Bin Wu; Xuefeng Jiang; Shimin Zhao","","Journal of Organic Chemistry","2005","70","","2568","2575","10.1021/jo0480038","","","0.71073","MoKα","","0.0711","0.0376","","","0.0663","0.0717","","","","","","0.772","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020095","10.1964","0.0007","14.2476","0.0009","18.0359","0.0011","90","","91.374","0.004","90","","2619.4","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-bis(2-methylphenyl)-1,2-bis(4-carbmethoxyphenyl)- 1,2-ethanediol","","- C32 H30 O6 -","- C32 H30 O6 -","- C128 H120 O24 -","4","0.5","","Konosonoks, Armands; Wright, P. John; Tsao, Meng-Lin; Pika, Jana; Novak, Kevin; Mandel, Sarah M.; Krause Bauer, Jeanette A.; Bohne, Cornelia; Gudmundsdóttir, Anna D.","Photoenolization of 2-(2-Methyl Benzoyl) Benzoic Acid, Methyl Ester: Effect of E Photoenol Lifetime on the Photochemistry","The Journal of Organic Chemistry","2005","70","7","2763","2770","10.1021/jo048055x","","","1.54178","CuKα","","0.0599","0.0483","","","0.1331","0.1411","","","","","","1.053","","","","has coordinates","270065","2021-10-23","05:09:20",""
"4020096","8.0922","0.0009","8.6918","0.0009","10.0834","0.001","111.314","0.002","91.303","0.002","108.706","0.002","617.96","0.11","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)benzoic acid methyl ester","","- C16 H12 O4 -","- C16 H12 O4 -","- C32 H24 O8 -","2","1","","Konosonoks, Armands; Wright, P. John; Tsao, Meng-Lin; Pika, Jana; Novak, Kevin; Mandel, Sarah M.; Krause Bauer, Jeanette A.; Bohne, Cornelia; Gudmundsdóttir, Anna D.","Photoenolization of 2-(2-Methyl Benzoyl) Benzoic Acid, Methyl Ester: Effect of E Photoenol Lifetime on the Photochemistry","The Journal of Organic Chemistry","2005","70","7","2763","2770","10.1021/jo048055x","","","0.71073","MoKα","","0.0639","0.0469","","","0.1073","0.1145","","","","","","1.032","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020097","7.727","0.0004","9.1842","0.0005","11.0217","0.0005","112.124","0.001","109.389","0.001","91.253","0.001","673.76","0.06","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","2-(2-formyl-benzyl)benzoic acid methyl ester","","- C16 H12 O4 -","- C16 H12 O4 -","- C32 H24 O8 -","2","1","","Konosonoks, Armands; Wright, P. John; Tsao, Meng-Lin; Pika, Jana; Novak, Kevin; Mandel, Sarah M.; Krause Bauer, Jeanette A.; Bohne, Cornelia; Gudmundsdóttir, Anna D.","Photoenolization of 2-(2-Methyl Benzoyl) Benzoic Acid, Methyl Ester: Effect of E Photoenol Lifetime on the Photochemistry","The Journal of Organic Chemistry","2005","70","7","2763","2770","10.1021/jo048055x","","","0.71073","MoKα","","0.0534","0.0382","","","0.0994","0.1108","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020098","28.868","0.013","7.868","0.003","6.302","0.003","90","","90","","90","","1431.5","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H22 Cl N O -","- C14 H22 Cl N O -","- C56 H88 Cl4 N4 O4 -","4","1","","Shengming Ma; Bin Wu; Xuefeng Jiang","","Journal of Organic Chemistry","2005","70","","2588","2593","10.1021/jo0480996","","","0.71073","MoKα","","0.0879","0.0764","","","0.2031","0.2143","","","","","","1.053","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020099","8.664","0.0016","9.292","0.0017","9.9179","0.0019","104.905","0.003","103.761","0.003","101.298","0.003","720.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N O -","- C16 H18 Cl N O -","- C32 H36 Cl2 N2 O2 -","2","1","","Shengming Ma; Bin Wu; Xuefeng Jiang","","Journal of Organic Chemistry","2005","70","","2588","2593","10.1021/jo0480996","","","0.71073","MoKα","","0.0921","0.0508","","","0.0927","0.105","","","","","","0.828","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020100","21.3129","0.0003","31.6796","0.0005","7.7621","0.0001","90","","90","","90","","5240.8","0.1","296.2","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H26 N6 O S -","- C30 H26 N6 O S -","- C240 H208 N48 O8 S8 -","8","1","","Hidehiro Sakurai; Mendra T. S. Ritonga; Harumi Shibatani; Toshikazu Hirao","","Journal of Organic Chemistry","2005","70","","2754","2762","10.1021/jo048324j","","","0.7107","MoKα","","","0.0546","","","","0.1804","","","","","","0.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020101","6.2277","0.0005","19.004","0.002","21.034","0.002","90","","93.283","0.002","90","","2485.4","0.3","277.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N6 -","- C32 H26 N6 -","- C128 H104 N24 -","4","1","","Hidehiro Sakurai; Mendra T. S. Ritonga; Harumi Shibatani; Toshikazu Hirao","","Journal of Organic Chemistry","2005","70","","2754","2762","10.1021/jo048324j","","","0.7107","MoKα","","","0.0658","","","","0.1941","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020102","15.87156","0.00003","11.15139","0.00004","15.78242","0.00001","90","","135.908","0.0002","90","","1943.64","0.008","173","1","173","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 -","- C29 H18 -","- C116 H72 -","4","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.71069","MoKα","","0.1101","0.0812","","","0.1597","0.1713","","","","","","1.145","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020103","12.9713","0.0009","9.9393","0.0007","16.472","0.001","90","","95.578","0.002","90","","2113.7","0.2","173.2","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C31 H18 -","- C31 H18 -","- C124 H72 -","4","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.7107","MoKα","","","0.0553","","","","0.1407","","","","","","1.577","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020104","7.411","0.003","10.466","0.004","11.746","0.005","116.09","0.03","104.12","0.04","92.52","0.03","781.5","0.5","120","1","120","1","","","","","","","","2","P 1","P 1","1","","","","- C49 H26 -","- C49 H26 -","- C49 H26 -","1","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.71075","MoKα","","0.129","0.0826","","","0.2003","0.2269","","","","","","1.044","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020105","5.9175","","17.806","0.0001","15.1418","0.0001","90","","93.1104","0.0006","90","","1593.11","0.02","173.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 O -","- C24 H12 O -","- C96 H48 O4 -","4","1","","Ichiro Hisaki; Takeshi Eda; Motohiro Sonoda; Hiroyuki Niino; Tadatake Sato; Tomonari Wakabayashi; Yoshito Tobe","","Journal of Organic Chemistry","2005","70","","1853","1864","10.1021/jo047857p","","","0.7107","MoKα","","","0.0406","","","","0.1003","","","","","","0.76","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020106","8.9492","0.0012","22.822","0.003","13.7252","0.0018","90","","102.24","0.003","90","","2739.5","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N S2 -","- C35 H27 N S2 -","- C140 H108 N4 S8 -","4","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.1764","0.0578","","","0.0906","0.1162","","","","","","0.699","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020107","7.5426","0.001","12.0543","0.0015","22.414","0.003","90","","90.244","0.003","90","","2037.9","0.4","295","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N -","- C28 H23 N -","- C112 H92 N4 -","4","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.2021","0.056","","","0.0757","0.0998","","","","","","0.728","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020108","10.5425","0.0007","11.792","0.0005","19.307","0.002","88.382","0.006","80.163","0.007","71.376","0.005","2240.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H48 Cl2 N2 -","- C56 H43 N2 -","- C112 H86 N4 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","1.5418","CuKα","","0.0971","0.0788","","","0.2301","0.2478","","","","","","0.981","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020109","7.484","0.002","12.286","0.004","16.015","0.005","101.624","0.007","91.596","0.006","101.812","0.007","1408.1","0.7","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H31 N -","- C40 H31 N -","- C80 H62 N2 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.2128","0.0712","","","0.1252","0.1673","","","","","","0.747","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020110","10.014","0.003","11.776","0.003","12.422","0.003","93.439","0.006","103.626","0.005","91.543","0.006","1419.8","0.6","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H31 N -","- C40 H31 N -","- C80 H62 N2 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.146","0.0531","","","0.0803","0.1008","","","","","","0.766","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020111","8.099","0.002","13.782","0.004","25.681","0.007","90","","95.354","0.006","90","","2854","1.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 N -","- C40 H31 N -","- C160 H124 N4 -","4","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.23","0.057","","","0.0837","0.1187","","","","","","0.703","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020112","11.1642","0.0015","11.6529","0.0016","12.7118","0.0017","82.228","0.003","67.199","0.003","70.834","0.003","1440","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H31 N -","- C40 H31 N -","- C80 H62 N2 -","2","1","","Ming Chen; Kenneth P. Ghiggino; San H. Thang; Jonathan White; Gerard J. Wilson","","Journal of Organic Chemistry","2005","70","","1844","1852","10.1021/jo047899d","","","0.71073","MoKα","","0.1111","0.0477","","","0.0705","0.0837","","","","","","0.782","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020113","11.145","0.003","22.855","0.007","10.089","0.004","90","","90","","90","","2569.9","1.4","298","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","(aS,S)-piperidinomethylpyrrolidine","","","- C29 H35 N2 O P -","- C29 N2 O P -","- C116 N8 O4 P4 -","4","1","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.051","0.048","","0.261","0.261","0.261","","","0.753","0.596","0.596","0.596","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020114","15.889","0.005","13.899","0.006","10.271","0.003","90","","99.75","0.03","90","","2235.4","1.4","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","3-Bromo-N-(2-diPhPO-6-MeOphenyl)piperidine","","","- C24 H25 Br N O2 P -","- C24 Br N O2 P -","- C96 Br4 N4 O8 P4 -","4","2","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.05","0.048","","0.178","0.177","0.177","","","0.779","0.718","0.718","0.718","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020115","15.852","0.005","13.838","0.006","10.219","0.003","90","","99.95","0.02","90","","2207.8","1.3","298","","","","","","","","","","","6","P 1 21 1","P 2yb","4","(R)-Chlorpiperidine","","","- C24 H25 Cl N O2 P -","- C24 Cl N O2 P -","- C96 Cl4 N4 O8 P4 -","4","2","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","","CuKα","","0.045","0.041","","0.193","0.192","0.192","","","0.899","0.649","0.649","0.649","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020116","15.407","0.005","6.635","0.003","13.278","0.005","90","","99.97","0.03","90","","1337","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","(sR,S)pyperidinopyrrolidine","","","- C29 H35 N2 O P -","- C29 N2 O P -","- C58 N4 O2 P2 -","2","1","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.06","0.052","","0.186","0.186","0.186","","","0.782","0.552","0.552","0.552","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020117","4.6416","0.0004","15.0604","0.0011","20.9786","0.0014","92.323","0.003","93.095","0.003","98.4404","0.0016","1446.75","0.19","180","2","180","2","","","","","","","","4","P -1","-P 1","2","H2salamo","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","2","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.07","0.0453","","","0.1099","0.1213","","","","","","1.054","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020118","4.694","0.004","14.616","0.006","12.356","0.004","90","","98.065","0.003","90","","839.3","0.9","120","2","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","H2(3-MeOsalamo)","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.2089","0.0816","","","0.1696","0.233","","","","","","0.979","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020119","33.113","0.005","16.85","0.003","12.654","0.002","90","","110.583","0.003","90","","6609.3","1.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H2(3,5-tBu2salamo)","","","- C32 H48.5 N2 O4.25 -","- C32 H48 N2 O4.25 -","- C256 H384 N16 O34 -","8","1","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.1138","0.0716","","","0.1515","0.1747","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020120","15.272","0.012","4.628","0.003","23.257","0.018","90","","104.485","0.011","90","","1591","2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","monomethoxy H2salamo","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima","","Journal of Organic Chemistry","2005","70","","1704","1711","10.1021/jo048030y","","","0.71069","MoKα","","0.1135","0.0749","","","0.1687","0.19","","","","","","1.054","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020121","8.9309","0.0008","11.7081","0.001","11.941","0.001","78.59","0.002","73.669","0.002","86.681","0.002","1174.54","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C54 H54 N2 O8 S2 -","2","1","","Min-Ruei Tsai; Bo-Fong Chen; Chih-Ching Cheng; Nein-Chen Chang","","Journal of Organic Chemistry","2005","70","","1780","1785","10.1021/jo048073e","","","0.71073","MoKα","","0.063","0.0462","","","0.1386","0.1531","","","","","","1.062","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020122","7.2994","0.0005","14.3444","0.0009","20.455","0.0013","90","","90","","90","","2141.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C92 H100 N4 O20 S4 -","4","1","","Min-Ruei Tsai; Bo-Fong Chen; Chih-Ching Cheng; Nein-Chen Chang","","Journal of Organic Chemistry","2005","70","","1780","1785","10.1021/jo048073e","","","0.71073","MoKα","","0.0503","0.0371","","","0.0879","0.0955","","","","","","1.074","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020123","8.2004","0.0001","22.606","0.0005","8.5199","0.0001","90","","117.599","0.001","90","","1399.69","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.0564","0.0496","","","0.1262","0.1316","","","","","","1.075","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020124","9.5717","0.0004","8.288","0.0003","18.8257","0.0008","90","","92.399","0.002","90","","1492.14","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.1142","0.0488","","","0.1003","0.1206","","","","","","0.948","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020125","11.1017","0.0003","11.9013","0.0004","24.0165","0.0007","90","","101.88","0.002","90","","3105.21","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N O -","- C20 H21 N O -","- C160 H168 N8 O8 -","8","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.058","0.0405","","","0.0915","0.1002","","","","","","1.047","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020126","10.5641","0.0003","15.7433","0.0005","8.3622","0.0002","90","","90","","90","","1390.75","0.07","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.0453","0.0352","","","0.0765","0.0806","","","","","","1.038","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020127","11.3938","0.0004","14.0951","0.0006","9.4791","0.0004","90","","92.901","0.002","90","","1520.36","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1552","1557","10.1021/jo048117j","","","0.71073","MoKα","","0.0689","0.0432","","","0.0977","0.1098","","","","","","1.027","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020128","14.6421","0.0005","7.4495","0.0004","14.4893","0.0007","90","","116.974","0.002","90","","1408.51","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.087","0.0441","","","0.0945","0.1111","","","","","","0.992","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020129","10.2478","0.0003","10.1404","0.0002","12.6013","0.0003","90","","95.208","0.001","90","","1304.08","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.0472","0.0382","","","0.0931","0.0993","","","","","","1.034","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020130","10.15","0.0002","8.3473","0.0002","16.6953","0.0004","90","","92.633","0.001","90","","1413.02","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.0543","0.0464","","","0.1098","0.1152","","","","","","1.026","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020131","6.1921","0.0001","15.5228","0.0003","14.087","0.0003","90","","99.315","0.001","90","","1336.17","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse","","Journal of Organic Chemistry","2005","70","","1545","1551","10.1021/jo048118b","","","0.71073","MoKα","","0.0624","0.0497","","","0.1173","0.1274","","","","","","1.046","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020132","4.919","0.005","7.728","0.007","12.222","0.012","75.244","0.016","83.76","0.017","78.475","0.017","439.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 I N O -","- C7 H12 I N O -","- C14 H24 I2 N2 O2 -","2","1","","Li Liu; Qian Chen; Yun-Dong Wu; Chaozhong Li","","Journal of Organic Chemistry","2005","70","","1539","1544","10.1021/jo0481349","","","0.71073","MoKα","","0.046","0.043","","","0.1082","0.1105","","","","","","1.103","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020133","8.607","0.003","9.146","0.003","15.608","0.002","90","","90.8","0.02","90","","1228.5","0.6","20","","193","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","?","- C312 H378 Cl46 N32 O96 P8 Si8 -","- C312 H378 Cl46 N32 O96 P8 Si8 -","","","","Li Liu; Qian Chen; Yun-Dong Wu; Chaozhong Li","","Journal of Organic Chemistry","2005","70","","1539","1544","10.1021/jo0481349","","","0.71073","MoKα","","0.1078","0.0614","","","0.1258","0.1454","","","","","","1.001","","","","has coordinates,has disorder","201202","2020-10-21","18:00:00",""
"4020134","26.465","0.0013","9.6298","0.0005","21.3983","0.0011","90","","105.37","0.001","90","","5258.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N O5 -","- C29 H31.5 N O5 -","- C232 H252 N8 O40 -","8","2","","Kay M. Brummond; Dennis P. Curran; Branko Mitasev; Stefan Fischer","","Journal of Organic Chemistry","2005","70","","1745","1753","10.1021/jo0481607","","","0.71073","MoKα","","0.1235","0.0718","","","0.1676","0.1877","","","","","","1.088","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020135","15.4047","0.0009","8.272","0.0005","15.9411","0.0009","90","","90","","90","","2031.3","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Kay M. Brummond; Dennis P. Curran; Branko Mitasev; Stefan Fischer","","Journal of Organic Chemistry","2005","70","","1745","1753","10.1021/jo0481607","","","0.71073","MoKα","","0.1158","0.0704","","","0.1252","0.1393","","","","","","1.089","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020136","31.545","0.005","6.9687","0.001","11.2953","0.0017","90","","94.753","0.003","90","","2474.5","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29.5 H28 Cl N O3 -","- C29.5 H28 Cl N O3 -","- C118 H112 Cl4 N4 O12 -","4","1","","Yong-Gui Zhou; Peng-Yu Yang; Xiu-Wen Han","","Journal of Organic Chemistry","2005","70","","1679","1683","10.1021/jo048212s","","","0.71073","MoKα","","0.1198","0.0711","","","0.1675","0.198","","","","","","0.888","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020137","19.0391","0.0012","11.1986","0.0007","23.9408","0.0015","90","","95.338","0.003","90","","5082.3","0.6","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C101 H132 N4 O44 -","- C101 H132 N4 O44 -","- C202 H264 N8 O88 -","2","1","","Huifang Wu; Denzil Bernard; Weibin Chen; Gary D. Strahan; Jeffrey R. Deschamps; Damon A. Parrish; John W. Lewis; Alexander D. MacKerell, Jr.; Andrew Coop","","Journal of Organic Chemistry","2005","70","","1907","1910","10.1021/jo048388u","","","1.54178","CuKα","","0.1029","0.0847","","","0.2246","0.2396","","","","","","1.048","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020138","10.265","0.001","11.501","0.004","20.442","0.005","90","","90","","90","","2413.3","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 N O5 -","- C29 H35 N O5 -","- C116 H140 N4 O20 -","4","1","","Huifang Wu; Denzil Bernard; Weibin Chen; Gary D. Strahan; Jeffrey R. Deschamps; Damon A. Parrish; John W. Lewis; Alexander D. MacKerell, Jr.; Andrew Coop","","Journal of Organic Chemistry","2005","70","","1907","1910","10.1021/jo048388u","","","1.54178","CuKα","","0.0634","0.0501","","","0.1334","0.1474","","","","","","1.032","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020139","11.5806","0.0002","22.8486","0.0004","12.1009","0.0002","90","","113.623","0.001","90","","2933.59","0.09","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H83 Cl2 N5 O2 S2 -","- C60 H83 Cl2 N5 O2 S2 -","- C120 H166 Cl4 N10 O4 S4 -","2","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.0988","0.0507","","","0.0909","0.1074","","","","","","0.986","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020140","15.1902","0.0005","18.6941","0.0006","20.9059","0.0008","90","","98.979","0.002","90","","5863.8","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H82 Cl5 N5 O S2 -","- C52 H78 Cl N5 O S2 -","- C208 H312 Cl4 N20 O4 S8 -","4","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.1892","0.0956","","","0.1495","0.1583","","","","","","1.727","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020141","10.4748","0.0002","13.6047","0.0002","13.2513","0.0002","90","","92.435","0.001","90","","1886.69","0.05","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Cl4 N4 O S -","- C38 H44 Cl4 N4 O S -","- C76 H88 Cl8 N8 O2 S2 -","2","0.5","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.1085","0.0467","","","0.1002","0.117","","","","","","1.044","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020142","12.022","0.0002","14.461","0.0002","17.705","0.0003","70.801","0.0009","88.999","0.0008","72.493","0.0008","2760.82","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H81 Cl2 N5 O2 S2 -","- C55 H79 Cl2 N5 O2 S2 -","- C110 H158 Cl4 N10 O4 S4 -","2","1","","Jonathan L. Sessler; Deqiang An; Won-Seob Cho; Vincent Lynch; Dae-Wi Yoon; Seong-Jin Hong; Chang-Hee Lee","","Journal of Organic Chemistry","2005","70","","1511","1517","10.1021/jo048480q","","","0.71073","MoKα","","0.1929","0.0754","","","0.1271","0.1416","","","","","","1.607","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020143","16.469","0.003","9.1484","0.0016","25.911","0.004","90","","106.831","0.004","90","","3736.6","1.1","223","2","223","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 -","- C53 H46 -","- C212 H184 -","4","1","","Michael J. Marsella; Kunsang Yoon; Samia Estassi; Fook S. Tham; Dan B. Borchardt; Binh H. Bui; Peter R. Schreiner","","Journal of Organic Chemistry","2005","70","","1881","1884","10.1021/jo0485132","","","0.71073","MoKα","","0.0868","0.0623","","","0.158","0.1788","","","","","","1.041","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020144","7.38","0.004","13.236","0.007","11.185","0.006","90","","90.073","0.009","90","","1092.5","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 B F2 N2 -","- C9 H17 B F2 N2 -","- C36 H68 B4 F8 N8 -","4","1","","Kyung-Ho Park; Will J. Marshall","","Journal of Organic Chemistry","2005","70","","2075","2081","10.1021/jo047798f","","","0.71069","MoKα","","0.1131","0.0724","","","0.2046","0.2318","","","","","","1.071","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020145","7.2817","0.0007","11.9407","0.0011","12.571","0.0012","90","","96.115","0.002","90","","1086.81","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cl N -","- C4 H8 Cl N -","- C32 H64 Cl8 N8 -","8","2","","Kyung-Ho Park; Will J. Marshall","","Journal of Organic Chemistry","2005","70","","2075","2081","10.1021/jo047798f","","","0.71073","MoKα","","0.0272","0.0244","","","0.0656","0.0675","","","","","","1.039","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020146","16.1895","0.0013","10.3998","0.0009","21.2941","0.0018","90","","92.68","0.002","90","","3581.3","0.5","187","2","187","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene","","- C52 H38 N2 -","- C52 H38 N2 -","- C208 H152 N8 -","4","0.5","","Xuefeng Mei; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2299","2305","10.1021/jo0479361","","","0.71073","MoKα","","0.0774","0.052","","","0.1228","0.1309","","","","","","1.074","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020147","10.8531","0.0014","12.2879","0.0016","14.4533","0.0019","108.655","0.003","90.794","0.003","91.44","0.003","1825.2","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","Mono-cp3","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene-N-mono-oxide","","- C52 H38 N2 O -","- C52 H38 N2 O -","- C104 H76 N4 O2 -","2","1","","Xuefeng Mei; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2299","2305","10.1021/jo0479361","","","0.71073","MoKα","","0.1614","0.0785","","","0.1789","0.206","","","","","","0.954","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020148","13.8017","0.0012","11.308","0.001","15.029","0.0014","90","","113.116","0.002","90","","2157.2","0.3","187","2","187","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene N,N-dioxides","","- C54 H42 Cl4 N2 O2 -","- C54 H42 Cl4 N2 O2 -","- C108 H84 Cl8 N4 O4 -","2","0.5","","Xuefeng Mei; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2299","2305","10.1021/jo0479361","","","0.71073","MoKα","","0.0954","0.0619","","","0.1789","0.1958","","","","","","1.103","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020149","14.3227","0.0004","11.6876","0.0003","26.106","0.0008","90","","102.836","0.001","90","","4260.9","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-Ferrocenylsulfonyl-8-[(4-methylphenyl)sulfonyl]-5- [(4-vinylphenyl)sulfonyl]-2,5,8-triazatrindane","","- C38.5 H35 Cl2.77 Fe N3 O6 S3 -","- C38.5 H35 Cl2.76 Fe N3 O6 S3 -","- C154 H140 Cl11.04 Fe4 N12 O24 S12 -","4","1","","González, Ivan; Pla-Quintana, Anna; Roglans, Anna; Torrent, Anna; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Transition Metal-Mediated Intramolecular [2+2+2] Cycloadditions of Cyclic Triynes and Enediynes","Journal of Organic Chemistry","2005","70","","2033","2041","10.1021/jo048056p","","","0.71073","MoKα","","0.1214","0.069","","","0.1676","0.204","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020150","9.838","0.002","11.258","0.002","17.227","0.003","90","","106.15","0.03","90","","1832.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1,3-Di-tert-butyl-2,5-dioxo-imidazolidin-4-yl)-3,3,3-trifluoro-propionic acid ethyl ester","","- C16 H25 F3 N2 O4 -","- C16 H25 F3 N2 O4 -","- C64 H100 F12 N8 O16 -","4","1","","A.Volonterio; C. Ramirez de Arellano; M. Zanda","Synthesis of 1,3,5-trisubstituted hydantoins by regiospecific domino condensation/aza-Michael/O-N acyl migration of carbodiimides with activated α,β-carboxylic acids","Journal of Organic Chemistry","2005","70","","2161","2170","10.1021/jo0480848","","","0.71073","MoKα","","0.0514","0.0404","","","0.1056","0.1123","","","","","","1.025","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020151","19.684","0.004","5.4468","0.0011","20.36","0.004","90","","118.43","0.03","90","","1919.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-(4-methoxy-phenyl)-5-(2,2,2-trifluoro-1-trifluoromethyl-ethyl) -imidazolidine-2,4-dione","","- C20 H16 F6 N2 O3 -","- C20 H16 F6 N2 O3 -","- C80 H64 F24 N8 O12 -","4","1","","A.Volonterio; C. Ramirez de Arellano; M. Zanda","Synthesis of 1,3,5-trisubstituted hydantoins by regiospecific domino condensation/aza-Michael/O-N acyl migration of carbodiimides with activated α,β-carboxylic acids","Journal of Organic Chemistry","2005","70","","2161","2170","10.1021/jo0480848","","","0.71073","MoKα","","0.0517","0.0353","","","0.083","0.0902","","","","","","1.026","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020152","12.3045","0.0006","15.9117","0.0007","24.1391","0.0012","90","","90","","90","","4726.1","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H38 B2 F6 N2 -","- C20 H38 B2 F6 N2 -","- C160 H304 B16 F48 N16 -","8","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0651","0.0405","","","0.0876","0.0982","","","","","","1.009","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020153","7.8196","0.0009","11.4374","0.0012","19.142","0.002","90","","90","","90","","1712","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B F3 N -","- C17 H25 B F3 N -","- C68 H100 B4 F12 N4 -","4","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0673","0.0432","","","0.0924","0.1043","","","","","","0.971","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020154","8.1041","0.0007","10.5248","0.0008","10.7006","0.0009","102.898","0.002","95.855","0.002","107.391","0.002","834.92","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 Cl N -","- C18 H28 Cl N -","- C36 H56 Cl2 N2 -","2","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0564","0.0436","","","0.1126","0.1198","","","","","","1.019","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020155","12.3939","0.0013","13.7953","0.0014","14.2655","0.0015","107.587","0.002","113.209","0.003","90.358","0.003","2114.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H36 Cl N -","- C21 H36 Cl N -","- C84 H144 Cl4 N4 -","4","2","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0857","0.0518","","","0.1097","0.1223","","","","","","1.019","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020156","10.6045","0.001","11.0631","0.001","19.7482","0.0019","90","","90","","90","","2316.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 B F3 N -","- C10 H19 B F3 N -","- C80 H152 B8 F24 N8 -","8","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0536","0.0419","","","0.0992","0.105","","","","","","1.118","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020157","7.94","0.002","15.739","0.004","13.357","0.003","90","","105.846","0.004","90","","1605.7","0.6","296.2","","296.2","","","","","","","","?","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl N4 Pd -","- C16 H17 Cl N4 Pd -","- C64 H68 Cl4 N16 Pd4 -","4","1","","Takashi Mino; Yoshiaki Shirae; Masami Sakamoto; Tsutomu Fujita","","Journal of Organic Chemistry","2005","70","","2191","2194","10.1021/jo048107i","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020158","5.63","0.0003","9.508","0.0005","9.74","0.001","100.476","0.006","99.667","0.006","104.537","0.004","483.63","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-((-Nitromethyl)-1,6,7,7a-tetrahydro-3a,6-epoxy-2-benzothiophene","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","1","","Irishi N. N. Namboothiri; Madhu Ganesh; Shaikh M. Mobin; Miriam Cojocaru","","Journal of Organic Chemistry","2005","70","","2235","2243","10.1021/jo048262x","","","0.71073","MoKα","","0.0394","0.0351","","","0.0857","0.0897","","","","","","1.046","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4020159","8.167","0.0013","10.762","0.0012","11.823","0.002","103.069","0.013","95.201","0.018","89.954","0.011","1007.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-((-Nitromethyl)-4,4a,5,6-tetrahydro-3H-6,8a,7,8-diepoxyisochromene","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C40 H52 N4 O20 -","4","2","","Irishi N. N. Namboothiri; Madhu Ganesh; Shaikh M. Mobin; Miriam Cojocaru","","Journal of Organic Chemistry","2005","70","","2235","2243","10.1021/jo048262x","","","0.71073","MoKα","","0.0694","0.0374","","","0.0941","0.107","","","","","","1.015","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020160","8.528","0.001","10.67","0.0007","16.31","0.001","90","","103.067","0.007","90","","1445.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5R,6R)-1,3,3a,4,5,6-Hexahydro-1-(nitromethyl) isobenzofuran-5,6-diacetate","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Irishi N. N. Namboothiri; Madhu Ganesh; Shaikh M. Mobin; Miriam Cojocaru","","Journal of Organic Chemistry","2005","70","","2235","2243","10.1021/jo048262x","","","0.71073","MoKα","","0.1076","0.045","","","0.1037","0.124","","","","","","0.995","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020161","30.727","0.004","8.2906","0.001","29.838","0.004","90","","104.767","0.002","90","","7350","1.5","130","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 N O4.5 S Si2 -","- C32 H60 N O4.5 S Si2 -","- C256 H480 N8 O36 S8 Si16 -","8","1","","Kathryn Hassall; Sofia Lobachevsky; Jonathan M. White","","Journal of Organic Chemistry","2005","70","","1993","1997","10.1021/jo048384p","","","0.71073","MoKα","","0.0854","0.0491","","","0.0908","0.0987","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020162","8.2494","0.0012","10.7414","0.0016","12.6185","0.0018","83.686","0.002","75.608","0.002","70.555","0.002","1020.8","0.3","130","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H30 F3 N O3 S Si -","- C17 H30 F3 N O3 S Si -","- C34 H60 F6 N2 O6 S2 Si2 -","2","1","","Kathryn Hassall; Sofia Lobachevsky; Jonathan M. White","","Journal of Organic Chemistry","2005","70","","1993","1997","10.1021/jo048384p","","","0.71073","MoKα","","0.0454","0.04","","","0.1065","0.1104","","","","","","1.04","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020163","10.159","0.001","11.094","0.001","17.907","0.001","90","0.003","90","0.003","90","0.003","2018.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R,E,SS)-Trimethyl-[2-(2-tert-butoxycarbonylamino-2- methoxycarbonylethylsulfinyl)vinyl]silane","","- C14 H27 N O5 S Si -","- C14 H27 N O5 S Si -","- C56 H108 N4 O20 S4 Si4 -","4","1","","Maria C. Aversa; Anna Barattucci; Paola Bonaccorsi; Placido Giannetto","L-Cysteine, a Versatile Source of Sulfenic Acids. Synthesis of Enantiopure Alliin analogues","Journal of Organic Chemistry","2005","70","","1986","1992","10.1021/jo048662k","","","1.54178","CuKα","","0.0707","0.0623","","","0.1367","0.1405","","","","","","1.171","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020164","34.3241","0.0015","18.0281","0.0008","18.0481","0.0008","90","","90","","90","","11168.1","0.9","143","1","143","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C128 H134 N4 O25 Pd -","- C128 H134 N4 O25 Pd -","- C512 H536 N16 O100 Pd4 -","4","1","","Olga S. Finikova; Sergei E. Aleshchenkov; Raymond P. Brinas; Andrei V. Cheprakov; Patrick J. Carroll; Sergei A. Vinogradov","","Journal of Organic Chemistry","2005","70","","4617","4628","10.1021/jo047741t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020165","8.872","0.003","17.86","0.007","10.311","0.004","90","","94.796","0.006","90","","1628.1","1.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O3 Sn -","- C37 H41 N O3 Sn -","- C74 H82 N2 O6 Sn2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020166","5.4049","0.0019","8.413","0.003","17.658","0.006","90","","92.23","0.006","90","","802.3","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O2 S -","- C15 H20 N4 O2 S -","- C30 H40 N8 O4 S2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020167","8.87","0.002","5.2473","0.0014","21.735","0.006","90","","97.428","0.006","90","","1003.1","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O -","- C25 H27 N O -","- C50 H54 N2 O2 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020168","6.4713","0.0018","27.311","0.007","14.938","0.004","90","","90.22","0.005","90","","2640","1.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H68 Br2 N2 O10 -","- C54 H68 Br2 N2 O10 -","- C108 H136 Br4 N4 O20 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020169","8.5839","0.0016","14.514","0.003","30.157","0.006","90","","90","","90","","3757.3","1.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H45 Br N2 O4 S -","- C40 H45 Br N2 O4 S -","- C160 H180 Br4 N8 O16 S4 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020170","6.419","0.0011","17.531","0.003","22.374","0.004","90","","90","","90","","2517.8","0.8","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 Br N O4 -","- C26 H32 Br N O4 -","- C104 H128 Br4 N4 O16 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020171","5.554","0.003","10.954","0.005","20.878","0.009","90","","90","","90","","1270.2","1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Br O2 -","- C14 H17 Br O2 -","- C56 H68 Br4 O8 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020172","15.123","0.003","12.592","0.003","25.895","0.005","90","","94.988","0.003","90","","4912.4","1.7","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H32 Br N O3 -","- C26 H32 Br N O3 -","- C208 H256 Br8 N8 O24 -","8","2","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020173","6.149","0.002","24.262","0.008","16.606","0.005","90","","99.24","0.006","90","","2445.3","1.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Br N O4 -","- C26 H32 Br N O4 -","- C104 H128 Br4 N4 O16 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020174","7.623","0.003","6.294","0.003","15.896","0.006","90","","100.643","0.007","90","","749.6","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C30 H36 Br2 N2 O6 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020175","12.374","0.007","6.317","0.004","18.86","0.011","90","","94.881","0.01","90","","1468.8","1.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 Br N O5 -","- C30 H38 Br N O5 -","- C60 H76 Br2 N2 O10 -","2","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4020176","13.251","0.001","17.85","0.002","7.369","0.001","90","","92.1","0.01","90","","1741.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Br F3 N4 O2 -","- C17 H10 Br F3 N4 O2 -","- C68 H40 Br4 F12 N16 O8 -","4","1","","Silvestre Buscemi; Andrea Pace; Antonio Palumbo Piccionello; Gabriella Macaluso; Nicolò Vivona; Domenico Spinelli; Gianluca Giorgi","","Journal of Organic Chemistry","2005","70","","3288","3291","10.1021/jo047766s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020177","7.9132","0.0012","9.9342","0.0016","10.9874","0.0018","109.281","0.003","97.029","0.003","107.275","0.003","754.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl2 F2 N O4 -","- C13 H13 Cl2 F2 N O4 -","- C26 H26 Cl4 F4 N2 O8 -","2","1","","Fu-Lu Zhao; Jin-Tao Liu","","Journal of Organic Chemistry","2005","70","","3801","3805","10.1021/jo0477852","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020178","9.287","0.0002","9.393","0.0002","10.735","0.0003","81.726","0.001","72.983","0.001","71.805","0.002","849.25","0.03","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C46 H36 N4 -","2","1","","Arumugasamy Elangovan; Kuo-Ming Kao; Shu-Wen Yang; Yu-Ling Chen; Tong-Ing Ho; Yuhlong Oliver Su","","Journal of Organic Chemistry","2005","70","","4460","4469","10.1021/jo0477953","","","","","","","0.0483","","","0.1278","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020179","9.204","0.0002","9.325","0.0002","11.096","0.0003","72.871","0.002","80.424","0.001","71.413","0.001","859.86","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N -","- C24 H19 N -","- C48 H38 N2 -","2","1","","Arumugasamy Elangovan; Kuo-Ming Kao; Shu-Wen Yang; Yu-Ling Chen; Tong-Ing Ho; Yuhlong Oliver Su","","Journal of Organic Chemistry","2005","70","","4460","4469","10.1021/jo0477953","","","","","","","0.0451","","","0.1232","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020180","14.2335","0.0003","7.2938","0.0007","18.4191","0.0009","90","","90","","90","","1912.2","0.2","295","2","295","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","0.5","","Man-kit Leung; M. Balaji Viswanath; Pi-Tai Chou; Shih-Chieh Pu; Hsin-Chieh Lin; Bih-Yaw Jin","","Journal of Organic Chemistry","2005","70","","3560","3568","10.1021/jo047802n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020181","5.4679","0.0004","10.7485","0.0008","11.6878","0.0008","89.132","0.001","81.738","0.001","82.582","0.001","674.09","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 F6 O2 Sb -","- C10 H13 F6 O2 Sb -","- C20 H26 F12 O4 Sb2 -","2","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020182","11.9578","0.0008","8.3099","0.0006","12.325","0.0008","90","","106.164","0.001","90","","1176.3","0.14","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 F6 O2 Sb -","- C8 H9 F6 O2 Sb -","- C32 H36 F24 O8 Sb4 -","4","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178379","2020-10-21","18:00:00",""
"4020183","23.943","0.002","8.1333","0.0007","12.6599","0.0011","90","","105.33","0.004","90","","2377.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 F6 O2 Sb -","- C6 H13 F6 O2 Sb -","- C48 H104 F48 O16 Sb8 -","8","2","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020184","6.7427","0.0005","8.3135","0.0006","10.9042","0.0008","100.161","0.002","95.705","0.002","108.593","0.002","562.26","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 F8 O2 Sb -","- C7 H5 F8 O2 Sb -","- C14 H10 F16 O4 Sb2 -","2","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020185","8.2975","0.0007","11.5995","0.0011","21.6279","0.0019","90","","90","","90","","2081.6","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 As F8 O2 -","- C7 H5 As F8 O2 -","- C56 H40 As8 F64 O16 -","8","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020186","7.6413","0.0005","19.59","0.0012","12.4123","0.0008","90","","102.162","0.001","90","","1816.3","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 As F6 O4 -","- C16 H17 As F6 O4 -","- C64 H68 As4 F24 O16 -","4","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020187","5.697","0.001","14.758","0.015","18.239","0.011","90","","98.58","0.05","90","","1516.3","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 O7 S -","- C12 H22 O7 S -","- C48 H88 O28 S4 -","4","2","","Alibés, Ramón; Blanco, Pilar; Casas, Eva; Closa, Montserrat; de March, Pedro; Figueredo, Marta; Font, Josep; Sanfeliu, Elena; Alvarez-Larena, Angel","Asymmetric Synthesis of the Azabicyclic Core of the Stemona Alkaloids","Journal of Organic Chemistry","2005","70","","3157","3167","10.1021/jo047867q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020188","22.1109","0.0004","6.9308","0.0001","22.1109","0.0004","90","","95.128","0.001","90","","3374.85","0.1","213","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","2","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020189","8.5729","0.0004","9.3557","0.0004","13.7085","0.0006","107.284","0.001","99.774","0.001","102.644","0.001","991.32","0.08","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N O3 -","- C26 H17 N O3 -","- C52 H34 N2 O6 -","2","1","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020190","17.615","0.004","9.153","0.0018","15.264","0.003","90","","92.83","0.03","90","","2458","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N2 O7 -","- C29 H22 N2 O7 -","- C116 H88 N8 O28 -","4","1","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020191","9.0982","0.0001","23.0174","0.0001","11.7352","0.0002","90","","96.273","0.001","90","","2442.83","0.05","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O6 -","- C28 H19 Br N2 O6 -","- C112 H76 Br4 N8 O24 -","4","1","","Lei Wang; Yan Zhang; Hua-You Hu; Hoong Kun Fun; Jian-Hua Xu","","Journal of Organic Chemistry","2005","70","","3850","3858","10.1021/jo047870+","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020192","11.253","0.0014","6.0225","0.0007","14.1891","0.0018","90","","95.661","0.003","90","","956.9","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O5 -","- C19 H29 N O5 -","- C38 H58 N2 O10 -","2","1","","Darren B. Hansen; Xiaobo Wan; Patrick J. Carroll; Madeleine M. Joullié","","Journal of Organic Chemistry","2005","70","","3120","3126","10.1021/jo047876z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020193","10.0857","0.0007","15.8359","0.0011","17.7444","0.0014","90","","90","","90","","2834.1","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O7 -","- C33 H37 N O7 -","- C132 H148 N4 O28 -","4","1","","Darren B. Hansen; Xiaobo Wan; Patrick J. Carroll; Madeleine M. Joullié","","Journal of Organic Chemistry","2005","70","","3120","3126","10.1021/jo047876z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020194","15.6234","0.0013","10.6788","0.0009","18.9084","0.0016","90","","97.854","0.002","90","","3125.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","thiacyclophanes","","","- C37 H30 O2 S2 -","- C37 H30 O2 S2 -","- C148 H120 O8 S8 -","4","2","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020195","11.692","0.001","5.268","0.003","15.011","0.004","90","","108.56","0.02","90","","876.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","thiacyclophanes","","","- C18 H20 S4 -","- C18 H20 S4 -","- C36 H40 S8 -","2","0.5","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020196","8.426","0.001","9.219","0.003","16.82","0.004","82.93","0.03","104.02","0.02","108.97","0.02","1197.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O4 S4 -","- C22 H28 O4 S4 -","- C44 H56 O8 S8 -","2","1","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","7,16,19,22-Tetramethoxy-1,3,10,12-Tetrathiatricyclo[14.2.2.2^19,20^] Docosa 5, 7,14,16,19,21-Hexane","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4020197","9.109","0.002","10.048","0.006","13.347","0.005","97.39","0.04","90.96","0.03","103.47","0.03","1176.8","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O4 S4 -","- C22 H28 O4 S4 -","- C44 H56 O8 S8 -","2","1","","Perumal Rajakumar; Manickam Dhanasekaran; Subramaniyan Selvam; Paduthapillai Gopal Aravindan; Devadasan Velmurugan","7,15,19,22-Tetramethoxy-1,3,10,12-Tetrathiatricyclo[14.2.2.2^19,20^] Docosa 5, 7,14,16,19,21-Hexane","Journal of Organic Chemistry","2005","70","","3267","3270","10.1021/jo047922v","","","","","","","","","","","","","","","","","","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4020198","25.6814","0.0005","6.0774","0.0001","3.8911","0.0001","90","","90","","90","","607.31","0.02","120","1","120","1","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C16 H8 S3 -","- C16 H8 S3 -","- C32 H16 S6 -","2","0.5","","Wex, Brigitte; Kaafarani B. R.; Kirschbaum, Kristin; Neckers, Douglas, C.","","Journal of Organic Chemistry","2005","70","","4502","4505","10.1021/jo048010w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020199","12.2959","0.0002","5.8414","0.0001","35.8324","0.0007","90","","90","0.03","90","","2573.67","0.08","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br N2 O3 -","- C14 H11 Br N2 O3 -","- C112 H88 Br8 N16 O24 -","8","2","","N. R. Conley; R. J. Hung; C. G. Willson","","Journal of Organic Chemistry","2005","70","","4553","4555","10.1021/jo048031q","","","","","","","","","","","","","","","","","","","","","has coordinates","178379","2020-10-21","18:00:00",""
"4020200","11.5904","0.0004","5.7419","0.0002","16.1679","0.0007","90","","106.644","0.0013","90","","1030.91","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N2 O2 -","- C10 H7 Br N2 O2 -","- C40 H28 Br4 N8 O8 -","4","1","","N. R. Conley; R. J. Hung; C. G. Willson","","Journal of Organic Chemistry","2005","70","","4553","4555","10.1021/jo048031q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020201","5.9611","0.0002","7.5339","0.0002","11.4495","0.0004","76.697","0.002","77.861","0.002","85.168","0.002","488.87","0.03","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Br N2 O2 -","- C10 H7 Br N2 O2 -","- C20 H14 Br2 N4 O4 -","2","1","","N. R. Conley; R. J. Hung; C. G. Willson","","Journal of Organic Chemistry","2005","70","","4553","4555","10.1021/jo048031q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020202","32.547","0.005","32.547","0.005","12.972","0.003","90","","90","","120","","11900","5","293","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C23 H32 N4 O7 -","- C23 H32 N4 O7 -","- C414 H576 N72 O126 -","18","1","","Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete","","Journal of Organic Chemistry","2005","70","","4307","4313","10.1021/jo0480343","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020203","7.8536","0.0001","12.4334","0.0002","19.9054","0.0004","90","","96.84","0.001","90","","1929.87","0.06","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O7 -","- C18 H19 N3 O7 -","- C72 H76 N12 O28 -","4","1","","Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete","","Journal of Organic Chemistry","2005","70","","4307","4313","10.1021/jo0480343","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020204","10.8538","0.0002","11.2617","0.0002","18.0806","0.0003","84.9176","0.0008","86.9092","0.0007","73.4702","0.0007","2109.41","0.06","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C80 H92 N12 O28 -","4","2","","Orazio A. Attanasi; Gianfranco Favi; Paolino Filippone; Amalija Golobi; Branko Stanovnik; Jurij Svete","","Journal of Organic Chemistry","2005","70","","4307","4313","10.1021/jo0480343","","","","","","","","","","","","","","","","","","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4020205","10.958","0.002","16.203","0.003","9.101","0.002","90","","91.3","0.03","90","","1615.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Wei-Dong Z. Li; Bao-Chun Ma","","Journal of Organic Chemistry","2005","70","","3277","3280","10.1021/jo048046o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020206","21.67","0.002","21.67","0.002","23.534","0.002","90","","90","","120","","9570.3","1.5","100","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H120 Cl20 N26 Na7 O72 -","- C60 H120 Cl20 N26 Na7 O72 -","- C180 H360 Cl60 N78 Na21 O216 -","3","0.166667","","Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Lucia Borsari; Claudia Giorgi; Barbara Valtancoli; Carmen Anda; Antoni Llobet","","Journal of Organic Chemistry","2005","70","","4257","4266","10.1021/jo048142p","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020207","18.885","0.0015","10.3754","0.0008","16.7388","0.0014","90","","123.789","0.001","90","","2725.8","0.4","187","2","187","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","dipq","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","0.5","","Gilbert E. Tumambac; Christian Wolf","","Journal of Organic Chemistry","2005","70","","2930","2938","10.1021/jo048399n","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020208","17.9579","0.0019","7.8494","0.0009","11.428","0.0015","90","","120.223","0.001","90","","1391.9","0.3","243","2","243","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H17 N O7 -","- C12 H17 N O7 -","- C48 H68 N4 O28 -","4","1","","Rena Bodner; Bridget K. Marcellino; Alexandra Severino; Abigail L. Smenton; Christian M. Rojas","","Journal of Organic Chemistry","2005","70","","3988","3996","10.1021/jo0500129","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020209","11.8288","0.0003","17.1521","0.0004","17.8083","0.0005","90","","90","","90","","3613.1","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 N4 O7 -","- C38 H48 N4 O7 -","- C152 H192 N16 O28 -","4","1","","Eric J. Stoner; Michael S. Allen; Alan C. Christesen; Rodger F. Henry; L. Steven Hollis; Robert Keyes; Ian Marsden; Tamara C. Rehm; Sandeep G. Shiroor; Niru B. Soni; Kent D. Stewart","","Journal of Organic Chemistry","2005","70","","3332","3335","10.1021/jo0500131","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020210","10.4915","0.0003","16.6596","0.0004","17.7783","0.0004","90","","90","","90","","3107.37","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 N2 O7 -","- C34 H42 N2 O7 -","- C136 H168 N8 O28 -","4","1","","Eric J. Stoner; Michael S. Allen; Alan C. Christesen; Rodger F. Henry; L. Steven Hollis; Robert Keyes; Ian Marsden; Tamara C. Rehm; Sandeep G. Shiroor; Niru B. Soni; Kent D. Stewart","","Journal of Organic Chemistry","2005","70","","3332","3335","10.1021/jo0500131","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020211","6.903","0.0003","10.877","0.0007","16.728","0.0009","83.182","0.003","79.392","0.004","77.474","0.004","1201.08","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 O5 Si -","- C23 H34 O5 Si -","- C46 H68 O10 Si2 -","2","1","","Jean-Pierre Uttaro; Gérard Audran; Honoré Monti","","Journal of Organic Chemistry","2005","70","","3484","3489","10.1021/jo050039s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020212","13.7526","0.0019","6.4876","0.0009","15.415","0.002","90","","91.779","0.003","90","","1374.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H37 F2 N O5 Si -","- C24 H37 F2 N O5 Si -","- C48 H74 F4 N2 O10 Si2 -","2","1","","Xiao-Long Qiu; Feng-Ling Qing","","Journal of Organic Chemistry","2005","70","","3826","3837","10.1021/jo050057+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020213","10.5215","0.001","14.6712","0.0014","24.061","0.002","90","","90","","90","","3714.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H53 F2 N3 O7 Si2 -","- C28 H52 F2 N3 O7 Si2 -","- C112 H208 F8 N12 O28 Si8 -","4","1","","Xiao-Long Qiu; Feng-Ling Qing","","Journal of Organic Chemistry","2005","70","","3826","3837","10.1021/jo050057+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020214","6.003","0.0012","9.981","0.002","26.437","0.005","90","","90","","90","","1584","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C60 H104 O16 -","4","1","","Alex M. Szpilman; Edward E. Korshin; Haim Rozenberg; Mario D. Bachi","","Journal of Organic Chemistry","2005","70","","3618","3632","10.1021/jo050074z","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020215","8.506","0.001","26.258","0.005","6.205","0.002","95.67","0.02","103.93","0.02","88.93","0.01","1338.6","0.5","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020216","6.3071","0.0003","12.1522","0.0009","32.017","0.002","90","","90","","90","","2454","0.2","93.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H29 Cl2 N O3 -","- C108 H116 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020217","6.3028","0.0005","12.7985","0.0009","31.838","0.004","90","","90","","90","","2568.2","0.4","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H28 Cl2 N O3 -","- C108 H112 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020218","6.275","0.004","12.617","0.008","31.923","0.019","90","","90","","90","","2527","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H29 Cl2 N O3 -","- C108 H116 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020219","17.2663","","9.2015","","21.2939","","90","","99","","90","","3336.95","","150.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 Co Si2 -","- C35 H37 Co Si2 -","- C140 H148 Co4 Si8 -","4","1","","Shunji Ito; Mariko Ando; Akiko Nomura; Noboru Morita; Chizuko Kabuto; Hidetomo Mukai; Kazuchika Ohta; Jun Kawakami; Atsushi Yoshizawa; Akio Tajiri","","Journal of Organic Chemistry","2005","70","","3939","3949","10.1021/jo0500986","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020220","8.1622","0.0014","25.266","0.002","8.8758","0.0011","90","","115.558","0.012","90","","1651.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Fátima Churruca; Raul San Martín; Mónica Carril; Urtiaga, M.K.; Xavier Solans.; Imanol Tellitu; Esther Domínguez","","Journal of Organic Chemistry","2005","70","","3178","3187","10.1021/jo0501036","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020221","16.5","0.006","3.962","0.003","17.251","0.007","90","","113.076","0.013","90","","1037.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F O3 -","- C12 H11 F O3 -","- C48 H44 F4 O12 -","4","1","","Gillian E. Morton; Anthony G. M. Barrett","","Journal of Organic Chemistry","2005","70","","3525","3529","10.1021/jo050112e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020222","3.9446","0.0003","15.7446","0.0011","18.1173","0.0014","90","","90","","90","","1125.2","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br F O3 -","- C12 H10 Br F O3 -","- C48 H40 Br4 F4 O12 -","4","1","","Gillian E. Morton; Anthony G. M. Barrett","","Journal of Organic Chemistry","2005","70","","3525","3529","10.1021/jo050112e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020223","18.0517","0.0011","6.2044","0.0004","10.8293","0.0007","90","","91.692","0.003","90","","1212.35","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N O -","- C12 H21 N O -","- C48 H84 N4 O4 -","4","1","","Fleming, Fraser F.; Gudipati, Subrahmanyam; Zhang, Zhiyu; Liu, Wang; Steward, Omar W.","Cyclic Nitriles: Diastereoselective Alkylations","Journal of Organic Chemistry","2005","70","10","3845","3849","10.1021/jo0501184","","","","","","","","","","","","","","","","","","","","","has coordinates","209047","2020-10-21","18:00:00",""
"4020224","8.266","0.003","11.948","0.004","27.816","0.01","90","","90","","90","","2747.3","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H20 N O S3 -","- C14.5 H14.5 N0.5 O S1.5 -","- C116 H116 N4 O8 S12 -","8","2","","Yolanda Arroyo; Ángela Meana; J. Félix Rodríguez; Mercedes Santos; M. Ascensión Sanz-Tejedor; José. L. García Ruano","","Journal of Organic Chemistry","2005","70","","3914","3920","10.1021/jo050129x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020225","6.3998","0.0001","22.1292","0.0002","8.4297","0.0001","90","","111.597","0.001","90","","1110.02","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C48 H48 O12 S4 -","4","1","","J. L. García Ruano; Cristina Fajardo; Alberto Fraile; M. Rosario Martín","","Journal of Organic Chemistry","2005","70","","4300","4306","10.1021/jo050131o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020226","15.8574","0.0001","7.1566","0.0001","22.6412","0.0002","90","","107.188","0.001","90","","2454.69","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O3 S -","- C13 H14 O3 S -","- C104 H112 O24 S8 -","8","2","","J. L. García Ruano; Cristina Fajardo; Alberto Fraile; M. Rosario Martín","","Journal of Organic Chemistry","2005","70","","4300","4306","10.1021/jo050131o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020227","8.0985","0.0012","10.4719","0.0016","12.3827","0.0019","90","","90.47","0.003","90","","1050.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br I O3 -","- C8 H8 Br I O3 -","- C32 H32 Br4 I4 O12 -","4","1","","Carlos Silva López; Rosana Álvarez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera","","Journal of Organic Chemistry","2005","70","","3654","3659","10.1021/jo0501339","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020228","21.199","0.005","10.42","0.0017","38.634","0.006","90","","95.578","0.006","90","","8494","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 O -","- C27 H26 O -","- C432 H416 O16 -","16","2","","Shaolin Zhou; Bin Yan; Yuanhong Liu","","Journal of Organic Chemistry","2005","70","","4006","4012","10.1021/jo050152i","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020229","10.417","0.002","11.773","0.003","14.433","0.004","77.35","0.02","81.38","0.02","69.06","0.01","1608","0.7","173.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N2 O4.5 -","- C34 H42 N2 O4.5 -","- C68 H84 N4 O9 -","2","1","","Jacques Eustache; Pierre Van de Weghe; Didier Le Nouen; Hiroshi Uyehara; Chizuko Kabuto; Yoshinori Yamamoto","","Journal of Organic Chemistry","2005","70","","4043","4053","10.1021/jo0501543","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020230","12.992","0.003","10.203","0.003","18.76","0.005","90","","100.518","0.0011","90","","2445","1.1","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H42 N2 O4 -","- C24 H42 N2 O4 -","- C96 H168 N8 O16 -","4","2","","Jacques Eustache; Pierre Van de Weghe; Didier Le Nouen; Hiroshi Uyehara; Chizuko Kabuto; Yoshinori Yamamoto","","Journal of Organic Chemistry","2005","70","","4043","4053","10.1021/jo0501543","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020231","13.914","0.003","6.448","0.002","6.075","0.002","100.19","0.02","97.74","0.02","87.12","0.02","531.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","","Alessia Bacchi; Mirco Costa; Nicola Della Cà; Bartolo Gabriele; Giuseppe Salerno; Silvia Cassoni","","Journal of Organic Chemistry","2005","70","","4971","4979","10.1021/jo050155v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020232","15.528","0.003","18.993","0.004","10.971","0.002","74.7","0.02","86.06","0.02","82.38","0.02","3091.4","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","4","","Alessia Bacchi; Mirco Costa; Nicola Della Cà; Bartolo Gabriele; Giuseppe Salerno; Silvia Cassoni","","Journal of Organic Chemistry","2005","70","","4971","4979","10.1021/jo050155v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020233","6.4741","0.0007","8.8315","0.001","12.1985","0.0014","75.98","0.002","86.42","0.002","76.949","0.002","659.18","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","t-butylacetyl chloride * ZrCl4","","","- C12 H22 Cl10 O2 Zr2 -","- C12 H22 Cl10 O2 Zr2 -","- C12 H22 Cl10 O2 Zr2 -","1","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020234","8.8905","0.0007","7.0693","0.0006","9.3375","0.0007","90","","98.594","0.002","90","","580.27","0.08","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","fluorobenzoyl chloride * GaCl3","","","- C7 H4 Cl4 F Ga O -","- C7 H4 Cl4 F Ga O -","- C14 H8 Cl8 F2 Ga2 O2 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020235","8.917","0.002","12.313","0.002","16.573","0.003","90","","98.349","0.004","90","","1800.4","0.6","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroheptamethylbenzenium GaCl4","","","- C13 H20 Cl5 Ga -","- C13 H20 Cl5 Ga -","- C52 H80 Cl20 Ga4 -","4","1","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020236","8.8001","0.0008","11.934","0.0011","11.531","0.0011","90","","102.361","0.002","90","","1182.9","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","acetophenone * TiCl4","","","- C16 H16 Cl8 O2 Ti2 -","- C16 H16 Cl8 O2 Ti2 -","- C32 H32 Cl16 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020237","8.5649","0.0015","12.261","0.002","11.769","0.002","90","","102.185","0.005","90","","1208","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hydrindone * TiCl4","","","- C18 H16 Cl8 O2 Ti2 -","- C18 H16 Cl8 O2 Ti2 -","- C36 H32 Cl16 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020238","9.389","0.005","9.676","0.003","10.123","0.004","66.44","0.03","74.06","0.03","86.43","0.02","809.4","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","hydrindone * ZrCl4","","","- C20 H20 Cl12 O2 Zr2 -","- C20 H20 Cl12 O2 Zr2 -","- C20 H20 Cl12 O2 Zr2 -","1","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020239","8.9723","0.0005","7.1793","0.0004","10.5981","0.0006","90","","103.835","0.001","90","","662.87","0.06","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","benzoyl chloride*SbCl5","","","- C7 H5 Cl6 O Sb -","- C7 H5 Cl6 O Sb -","- C14 H10 Cl12 O2 Sb2 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020240","8.1706","0.0008","8.8513","0.0009","9.5658","0.001","64.311","0.002","77.905","0.002","72.173","0.002","591.11","0.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","benzoyl chloride * TiCl4","","","- C14 H10 Cl10 O2 Ti2 -","- C14 H10 Cl10 O2 Ti2 -","- C14 H10 Cl10 O2 Ti2 -","1","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020241","7.4816","0.0006","18.3327","0.0014","9.5736","0.0008","90","","107.525","0.002","90","","1252.15","0.17","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-toluoyl chloride * TiCl4","","","- C16 H14 Cl10 O2 Ti2 -","- C16 H14 Cl10 O2 Ti2 -","- C32 H28 Cl20 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020242","7.0758","0.0004","18.5263","0.0011","9.3579","0.0005","90","","105.328","0.001","90","","1183.08","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","fluorobenzoyl chloride * TiCl4","","","- C14 H8 Cl10 F2 O2 Ti2 -","- C14 H8 Cl10 F2 O2 Ti2 -","- C28 H16 Cl20 F4 O4 Ti4 -","2","0.5","","M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi","Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations","Journal of Organic Chemistry","2005","70","","4013","4021","10.1021/jo0501588","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020243","10.73","0.002","19.233","0.004","8.9878","0.0018","90","","94.2","0.03","90","","1849.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl3 N3 O3 -","- C15 H14 Cl3 N3 O3 -","- C60 H56 Cl12 N12 O12 -","4","1","","Weifeng Shi; Fengping Xiao; Jianbo Wang","","Journal of Organic Chemistry","2005","70","","4318","4322","10.1021/jo050173c","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020244","8.2829","0.0017","12.724","0.003","13.209","0.003","67","0.03","78.3","0.03","86.13","0.03","1254.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 Cl4 O6 -","- C24 H22 Cl4 O6 -","- C48 H44 Cl8 O12 -","2","1","","Ying Cheng; Qing Zhu; Quan Song Li; Otto Meth-Cohn","","Journal of Organic Chemistry","2005","70","","4840","4846","10.1021/jo0501792","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020245","17.79","0.004","7.9794","0.0016","22.872","0.005","90","","90","","90","","3246.8","1.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H28 Br2 Cl2 O10 -","- C30 H28 Br2 Cl2 O10 -","- C120 H112 Br8 Cl8 O40 -","4","1","","Ying Cheng; Qing Zhu; Quan Song Li; Otto Meth-Cohn","","Journal of Organic Chemistry","2005","70","","4840","4846","10.1021/jo0501792","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020246","7.8493","0.0009","8.5693","0.0009","16.0885","0.0018","76.683","0.008","81.06","0.009","71.79","0.008","996.24","0.19","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 S6 -","- C18 H16 N2 S6 -","- C36 H32 N4 S12 -","2","1","","Claudia Loosli; Chunyang Jia; Shi-Xia Liu; Marco Haas; Maryléne Dias; Eric Levillain; Antonia Neels; Gael Labat; Andreas Hauser; Silvio Decurtins","","Journal of Organic Chemistry","2005","70","","4988","4992","10.1021/jo0501801","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020247","14.4612","0.0016","11.6741","0.0013","10.6275","0.0011","90","","90","","90","","1794.2","0.3","218","2","218","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 F12 N2 P2 -","- C12 H14 F12 N2 P2 -","- C48 H56 F48 N8 P8 -","4","0.5","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020248","17.688","0.003","11.184","0.002","18.034","0.005","90","","96.03","0.014","90","","3547.9","1.8","241","2","241","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H45 N O14 -","- C37 H45 N O14 -","- C148 H180 N4 O56 -","4","0.5","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020249","13.9159","0.0017","21.217","0.002","21.768","0.002","90","","95.423","0.009","90","","6398.3","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H77 F12 N3 O17 P2 -","- C58 H77 F12 N3 O17 P2 -","- C232 H308 F48 N12 O68 P8 -","4","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020250","10.3991","0.0006","13.6159","0.0008","19.3423","0.0012","87.759","0.001","82.524","0.001","72.675","0.001","2592.3","0.3","218","2","218","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H63 F6 N4 O13.5 P -","- C45 H52 F6 N4 O13 P -","- C90 H104 F12 N8 O26 P2 -","2","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020251","11.871","0.003","23.066","0.005","20.45","0.006","90","","90.307","0.008","90","","5599.5","2.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 F12 N2 O14 P2 -","- C52 H67 F12 N2 O14 P2 -","- C208 H268 F48 N8 O56 P8 -","4","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020252","10.7938","0.0013","20.226","0.0019","21.431","0.002","63.096","0.009","83.239","0.01","84.292","0.009","4137.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C81 H115.86 O29.93 -","- C81 H101 O29.931 -","- C162 H202 O59.862 -","2","1","","Feihe Huang; Karen A. Switek; Lev N. Zakharov; Frank R. Fronczek; Carla Slebodnick; Matthew Lam; James A. Golen; William S. Bryant; Philip E. Mason; Arnold L. Rheingold; Ashraf-Khorassani, Mehdi; Harry W. Gibson","Cryptands, Powerful Hosts for Paraquat Derivatives","Journal of Organic Chemistry","2005","70","","3231","3241","10.1021/jo050187i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020253","11.2195","0.0011","7.181","0.0007","12.868","0.0013","90","","92.559","0.005","90","","1035.71","0.18","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O2 S2 -","- C21 H26 N2 O2 S2 -","- C42 H52 N4 O4 S4 -","2","1","","Efraín Barragán; Horacio F. Olivo; Moisés Romero-Ortega; Seth Sarduy","","Journal of Organic Chemistry","2005","70","","4214","4217","10.1021/jo050188a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020254","7.7798","0.0008","9.7832","0.001","11.1085","0.0011","75.16","0.005","79.807","0.005","67.272","0.005","750.93","0.13","190","2","190","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H40 N2 O3 S2 Si -","- C23.4404 H29.5082 N2 O3 S2 Si0.33 -","- C23.4404 H29.5082 N2 O3 S2 Si0.33 -","1","1","","Efraín Barragán; Horacio F. Olivo; Moisés Romero-Ortega; Seth Sarduy","","Journal of Organic Chemistry","2005","70","","4214","4217","10.1021/jo050188a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020255","13.963","0.003","22.947","0.004","31.616","0.005","70.01","0.02","87.85","0.02","83.46","0.02","9458","3","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H76 P2 Si2 -","- C44.05 H64.75 P2 Si2 -","- C352.4 H518 P16 Si16 -","8","4","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020256","15.2131","0.0008","16.864","0.002","10.598","0.001","95.069","0.001","107.446","0.004","81.572","0.004","2563.1","0.4","143","","","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H88 P2 Si2 -","- C50 H88 P2 Si2 -","- C100 H176 P4 Si4 -","2","1","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020257","10.65","0.001","16.92","0.002","27.253","0.001","90","","100.309","0.003","90","","4831.7","0.7","130","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 P2 Si2 -","- C46 H82 P2 Si2 -","- C184 H328 P8 Si8 -","4","1","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020258","10.5921","0.0005","14.9698","0.0006","29.559","0.001","90","","94.8471","0.0006","90","","4670.1","0.4","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 P2 Si2 -","- C44 H78 P2 Si2 -","- C176 H312 P8 Si8 -","4","1","","Shigekazu Ito; Hiromichi Jin; Shigeo Kimura; Masaaki Yoshifuji","","Journal of Organic Chemistry","2005","70","","3537","3541","10.1021/jo050195z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020259","11.7529","0.0007","11.7529","0.0007","15.9649","0.0019","90","","90","","90","","2205.2","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H19 Br N4 O8 -","- C18 H19 Br N4 O8 -","- C72 H76 Br4 N16 O32 -","4","1","","Manuela Tosin; Colin O'Brien; Geraldine M. Fitzpatrick; Helge Müller-Bunz; W. Kenneth Glass; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4096","4106","10.1021/jo0501994","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020260","8.1212","0.0007","14.9889","0.0012","15.8159","0.0013","90","","90","","90","","1925.2","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C72 H80 N16 O32 -","4","1","","Manuela Tosin; Colin O'Brien; Geraldine M. Fitzpatrick; Helge Müller-Bunz; W. Kenneth Glass; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4096","4106","10.1021/jo0501994","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020261","11.977","0.002","15.047","0.003","21.319","0.004","90","","90","","90","","3842.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N8 O16 -","- C32 H38 N8 O16 -","- C128 H152 N32 O64 -","4","1","","Manuela Tosin; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4107","4117","10.1021/jo050200z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020262","17.509","0.018","17.694","0.017","23.43","0.02","105.17","0.07","93.96","0.09","103.58","0.09","6745","11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C153 H189 Cl3 N16 Zn4 -","- C153 H189 Cl3 N16 Zn4 -","- C306 H378 Cl6 N32 Zn8 -","2","1","","Satoru Hiroto; Atsuhiro Osuka","","Journal of Organic Chemistry","2005","70","","4054","4058","10.1021/jo0502192","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020263","8.672","0.0013","9.721","0.001","11.155","0.0017","103.884","0.008","101.898","0.007","107.401","0.007","831","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C22 H26 -","- C22 H26 -","- C44 H52 -","2","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","Zirconocene-Mediated and/or Catalyzed Unprecedented Coupling Reactions of Alkoxymethyl-Substituted Styrene Derivatives","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020264","5.797","0.0002","13.722","0.0009","11.819","0.0008","90","","93.498","0.004","90","","938.41","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O2 -","- C24 H30 O2 -","- C48 H60 O4 -","2","0.5","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020265","9.465","0.0013","14.93","0.0016","15.254","0.0017","90","","127.363","0.008","90","","1713.3","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 F2 -","- C22 H24 F2 -","- C88 H96 F8 -","4","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178380","2020-10-21","18:00:00",""
"4020266","13.431","0.001","7.55","0.0003","14.385","0.0011","90","","116.144","0.003","90","","1309.46","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F2 -","- C18 H16 F2 -","- C72 H64 F8 -","4","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020267","13.545","0.0005","7.808","0.0003","20.667","0.0007","90","","116.287","0.002","90","","1959.69","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F2 O -","- C23 H28 F2 O -","- C92 H112 F8 O4 -","4","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020268","8.478","0.0008","9.898","0.001","17.187","0.0008","90","","91.297","0.005","90","","1441.9","0.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 -","- C19 H22 -","- C76 H88 -","4","1","","Yutaka Ikeuchi; Takeo Taguchi; Yuji Hanzawa","","Journal of Organic Chemistry","2005","70","","4354","4359","10.1021/jo0502293","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020269","13.156","0.0008","11.6708","0.0007","16.293","0.0009","90","","102.174","0.001","90","","2445.4","0.2","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","corannulene","","","- C20 H10 -","- C20 H10 -","- C160 H80 -","8","2","","Marina A. Petrukhina; Kristian W. Andreini; James Mack; Lawrence T. Scott","","Journal of Organic Chemistry","2005","70","","5713","5716","10.1021/jo050233e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020270","13.1278","0.0007","11.6129","0.0006","16.2338","0.0009","90","","102.068","0.001","90","","2420.2","0.2","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","corannulene","","","- C20 H10 -","- C20 H10 -","- C160 H80 -","8","2","","Marina A. Petrukhina; Kristian W. Andreini; James Mack; Lawrence T. Scott","","Journal of Organic Chemistry","2005","70","","5713","5716","10.1021/jo050233e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020271","10.6129","0.0008","12.1178","0.0009","22.3579","0.0017","101.088","0.002","90.658","0.002","104.314","0.002","2728.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N2 O3 -","- C33 H30 N2 O3 -","- C132 H120 N8 O12 -","4","2","","Sukhdev Manku; Dennis P. Curran","Fluorous Mixture Synthesis of Fused-Tricyclic Hydantoins. Use of a Redundant Tagging Strategy on Fluorinated Substrates","Journal of Organic Chemistry","2005","70","","4470","4473","10.1021/jo0502596","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020272","8.1512","0.0007","11.4529","0.001","12.7178","0.0011","88.247","0.002","78.609","0.002","76.132","0.002","1129.78","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O3 -","- C27 H26 N2 O3 -","- C54 H52 N4 O6 -","2","1","","Sukhdev Manku; Dennis P. Curran","","Journal of Organic Chemistry","2005","70","","4470","4473","10.1021/jo0502596","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020273","6.1","0.007","7.694","0.009","21.66","0.02","90","","94.72","0.02","90","","1013.3","1.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H29 N O5 -","- C21 H29 N O5 -","- C42 H58 N2 O10 -","2","1","","James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis","","Journal of Organic Chemistry","2005","70","","4695","4705","10.1021/jo050268e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020274","31.656","0.008","6.3516","0.0014","18.371","0.005","90","","124.109","0.004","90","","3058.3","1.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H42 N2 O5 -","- C32 H42 N2 O5 -","- C128 H168 N8 O20 -","4","1","","James A. Aikins; Michael Haurez; John R. Rizzo; Jean-Pierre Van Hoeck; Willy Brione; Jean-Paul Kestemont; Christophe Stevens; Xavier Lemair; Gregory A. Stephenson; Eric Marlot; Mindy Forst; Ioannis N. Houpis","","Journal of Organic Chemistry","2005","70","","4695","4705","10.1021/jo050268e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
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"4020276","10.258","0.006","8.901","0.005","12.501","0.005","90","","97.71","0.04","90","","1131","1","173.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 Se8 -","- C16 H16 Se8 -","- C32 H32 Se16 -","2","0.5","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020277","12.61","0.008","8.781","0.003","13.849","0.006","90","","89.86","0.02","90","","1533","1","173.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag F3 O2 Se4 -","- C10 H8 Ag F3 O2 Se4 -","- C40 H32 Ag4 F12 O8 Se16 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020278","18.561","0.008","10.596","0.005","9.523","0.003","90","","90.92","0.03","90","","1872","1","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Ag F3 O2 Se5 -","- C12 H10 Ag F3 O2 Se5 -","- C48 H40 Ag4 F12 O8 Se20 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020279","9.988","0.005","10.253","0.006","9.82","0.006","117.67","0.05","115.71","0.04","64.52","0.04","768.7","0.9","173.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Ag F3 O2 Se4 -","- C10 H8 Ag F3 O2 Se4 -","- C20 H16 Ag2 F6 O4 Se8 -","2","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020280","10.725","0.001","11.207","0.002","12.938","0.002","90","","93.565","0.007","90","","1552.1","0.4","103.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag N O3 Se5 -","- C10 H10 Ag N O3 Se5 -","- C40 H40 Ag4 N4 O12 Se20 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020281","9.169","0.003","9.702","0.003","10.523","0.004","92.443","0.005","93.616","0.005","112.089","0.005","863.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O8 -","- C17 H17 N O8 -","- C34 H34 N2 O16 -","2","1","","Hulluri, Surya Prakash Rao; Shanmugam, Sivakumar","","Journal of Organic Chemistry","2005","70","","4524","4527","10.1021/jo050308e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020282","20.153","0.003","20.153","0.003","14.202","0.002","90","","90","","90","","5767.8","1.4","93","2","93","2","","","","","","","","6","I 41","I 4bw","80","","","","- C23 H22 Br4 Cl3 N4 O4.5 -","- C23 H22 Br4 Cl3 N4 O4.5 -","- C184 H176 Br32 Cl24 N32 O36 -","8","1","","Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood","","Journal of Organic Chemistry","2005","70","","5055","5061","10.1021/jo0503106","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020283","23.882","0.005","6.7351","0.0016","13.747","0.004","90","","110.39","0.005","90","","2072.5","0.9","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 N2 -","- C10 H8 Br2 N2 -","- C80 H64 Br16 N16 -","8","1","","Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood","","Journal of Organic Chemistry","2005","70","","5055","5061","10.1021/jo0503106","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020284","7.2876","0.0014","7.3084","0.0008","10.801","0.003","81.55","0.019","88.035","0.018","66.12","0.013","520.11","0.17","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br2 N2 O -","- C10 H8 Br2 N2 O -","- C20 H16 Br4 N4 O2 -","2","1","","Russell J. Pearson; Kathryn M. Evans; Alexandra M. Z. Slawin; Douglas Philp; Nicholas J. Westwood","","Journal of Organic Chemistry","2005","70","","5055","5061","10.1021/jo0503106","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020285","7.8553","0.0001","12.6178","0.0002","21.7682","0.0003","90","","90","","90","","2157.59","0.05","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C88 H116 N4 O28 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020286","7.183","0.003","12.295","0.004","25.615","0.012","90","","90","","90","","2262.2","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020287","7.0009","0.0001","10.7663","0.0001","10.5139","0.0001","90","","98.276","0.001","90","","784.22","0.015","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O4 Si -","- C14 H21 N O4 Si -","- C28 H42 N2 O8 Si2 -","2","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020288","6.6205","0.0017","10.695","0.005","16.226","0.007","90","","90","","90","","1148.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020289","8.7304","0.0006","6.0986","0.0005","17.0394","0.0013","90","","99.65","0.003","90","","894.4","0.12","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Cl F3 N O4 -","- C16 H19 Cl F3 N O4 -","- C32 H38 Cl2 F6 N2 O8 -","2","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020290","7.1847","0.0013","19.703","0.004","11.927","0.002","90","","98.777","0.004","90","","1668.6","0.5","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020291","8.325","0.003","11.534","0.004","17.382","0.007","90","","98.075","0.007","90","","1652.5","1.1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020292","10.549","0.004","10.483","0.004","14.482","0.005","90","","104.623","0.007","90","","1549.7","1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020293","8.3057","0.0019","10.161","0.002","11.493","0.003","90","","98.305","0.004","90","","959.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","0.5","","Nurullah Saracoglu; Oktay Talaz; Akín Azizoglu; William H. Watson; Metin Balci","","Journal of Organic Chemistry","2005","70","","5403","5408","10.1021/jo050327o","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020294","17.2719","0.0009","7.3616","0.0004","17.7619","0.0009","90","","115.421","0.001","90","","2039.74","0.19","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 Cl2 N2 O2 -","- C22 H22 Cl2 N2 O2 -","- C88 H88 Cl8 N8 O8 -","4","0.5","","William W. Porter, III; Thomas P. Vaid","","Journal of Organic Chemistry","2005","70","","5028","5035","10.1021/jo050328g","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4020295","11.1724","0.0006","17.6479","0.0009","20.256","0.001","73.118","0.001","76.353","0.001","76.596","0.001","3656.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 F6 N3 P -","- C27 H23 F6.02 N3 P1.00333 -","- C162 H138 F36.12 N18 P6.02 -","6","3","","William W. Porter, III; Thomas P. Vaid","","Journal of Organic Chemistry","2005","70","","5028","5035","10.1021/jo050328g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020296","8.2006","0.0016","5.99","0.0012","20.888","0.004","90","","100.704","0.003","90","","1008.2","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","04218","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C50 H48 N4 O4 -","2","1","","Craig R. Berry; Richard P. Hsung; Jennifer E. Antoline; Matthew E. Petersen; Rameshkumar Challeppan; Jessica A. Nielson","","Journal of Organic Chemistry","2005","70","","4038","4042","10.1021/jo0503411","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020297","9.566","0.002","10.902","0.003","14.003","0.004","90","","90","","90","","1460.3","0.7","103.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 S -","- C15 H22 O2 S -","- C60 H88 O8 S4 -","4","1","","Yusuke Nakashima; Toshio Shimizu; Kazunori Hirabayashi; Fujiko Iwasaki; Mikio Yamasaki; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5020","5027","10.1021/jo050343l","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020298","6.277","0.005","10.693","0.009","14.43","0.02","89.34","0.04","79.55","0.06","89.99","0.04","952.6","0.2","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 Br O4 -","- C22 H23 Br O4 -","- C44 H46 Br2 O8 -","2","1","","Hideaki Watanabe; Mitsuhiro Iwamoto; Masahisa Nakada","","Journal of Organic Chemistry","2005","70","","4652","4658","10.1021/jo050349a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020299","6.112","0.003","10.011","0.004","30.05","0.01","90","","90","","90","","1838","1","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Hideaki Watanabe; Mitsuhiro Iwamoto; Masahisa Nakada","","Journal of Organic Chemistry","2005","70","","4652","4658","10.1021/jo050349a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020300","7.7142","0.0002","12.489","0.0003","16.4407","0.0004","90","","90","","90","","1583.94","0.07","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020301","8.5126","0.0002","13.0434","0.0003","10.3263","0.0003","90","","111.545","0.001","90","","1066.45","0.05","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 Cl3 N2 O3 -","- C21 H23 Cl3 N2 O3 -","- C42 H46 Cl6 N4 O6 -","2","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020302","7.2678","0.0002","9.5184","0.0003","9.629","0.0003","103.344","0.002","93.196","0.002","94.762","0.002","643.96","0.03","233","2","233","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H35 N3 O4 -","- C30 H35 N3 O4 -","- C30 H35 N3 O4 -","1","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020303","10.0199","0.0003","14.4855","0.0005","15.229","0.0006","90","","90","","90","","2210.39","0.13","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C104 H112 N8 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020304","8.4712","0.0004","9.1064","0.0004","21.7919","0.0007","90","","90","","90","","1681.07","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020305","9.4969","0.0003","14.4534","0.0004","21.8742","0.0007","90","","90","","90","","3002.51","0.16","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 N3 O3 -","- C34 H43 N3 O3 -","- C136 H172 N12 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020306","8.849","0.0002","7.7644","0.0003","18.7321","0.0007","90","","103.497","0.002","90","","1251.48","0.07","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H32 N2 O6 S -","- C28 H32 N2 O6 S -","- C56 H64 N4 O12 S2 -","2","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020307","23.3036","0.0009","23.3036","0.0009","8.5915","0.0006","90","","90","","90","","4665.7","0.4","273","2","273","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H18 O -","- C12 H18 O -","- C192 H288 O16 -","16","1","","Daniele Casarini; Carmine Coluccini; Lodovico Lunazzi; Andrea Mazzanti","Stereolabile and Configurationally Stable Atropisomers of Hindered Aryl Carbinols.","Journal of Organic Chemistry","2005","70","","5098","5102","10.1021/jo050382x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020308","8.5188","0.0007","8.1021","0.0008","17.7649","0.0013","90","","98.111","0.007","90","","1213.87","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H38 N0 O5 Si -","- C20 H38 O5 Si -","- C40 H76 O10 Si2 -","2","1","","Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White","","Journal of Organic Chemistry","2005","70","","5449","5460","10.1021/jo0503862","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020309","22.109","0.001","8.375","0.001","19.32","0.001","90","","103.04","0.01","90","","3485.1","0.5","290","2","290","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C31 H56 O6 Si -","- C31 H56 O6 Si -","- C124 H224 O24 Si4 -","4","1","","Paul R. Blakemore; Cindy C. Browder; Jian Hong; Christopher M. Lincoln; Pavel A. Nagornyy; Lonnie A. Robarge; Duncan J. Wardrop; James D. White","","Journal of Organic Chemistry","2005","70","","5449","5460","10.1021/jo0503862","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020310","14.764","0.002","17.671","0.003","11.94","0.002","90","","103.858","0.006","90","","3024.4","0.8","90","2","90","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C27.3895 H44.779 B Cl0.407 F4 O0.2965 P2 Rh S -","- C27.3895 H44.78 B Cl0.407 F4 O0.2965 P2 Rh S -","- C109.558 H179.12 B4 Cl1.628 F16 O1.186 P8 Rh4 S4 -","4","1","","Tiziana Benincori; Tullio Pilati; Simona Rizzo; Franco Sannicoló; Mark J. Burk; Lorenzo de Ferra; Elio Ullucci; Oreste Piccolo","The 2,5-Dimethyl-3,4-bis[(2R,5R)-2,5-dimethylpospholano]thiophene (UluPHOS):the First Member of the Hetero-DuPHOS Family.","Journal of Organic Chemistry","2005","70","","5436","5441","10.1021/jo050390d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020311","12.369","0.004","10.857","0.004","13.911","0.005","90","","113.917","0.005","90","","1707.7","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 Cl Cu N2 -","- C15 H24 Cl Cu N2 -","- C60 H96 Cl4 Cu4 N8 -","4","2","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020312","23.5521","0.0017","12.9864","0.0009","25.1635","0.0018","90","","116.269","0.001","90","","6901.6","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H124 Cl4 Cu4 O2 P4 -","- C56 H124 Cl4 Cu4 O2 P4 -","- C224 H496 Cl16 Cu16 O8 P16 -","4","0.5","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020313","8.784","0.0007","15.4247","0.0012","30.289","0.002","90","","90","","90","","4103.9","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl Cu N2 -","- C21 H26 Cl Cu N2 -","- C168 H208 Cl8 Cu8 N16 -","8","1","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020314","10.7023","0.0004","5.7153","0.0002","17.0466","0.0006","90","","102.982","0.001","90","","1016.04","0.06","125","2","125","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H22 N2 O6 -","- C24 H22 N2 O6 -","- C48 H44 N4 O12 -","2","1","","Sergiu Coseri; G. David Mendenhall; K. U. Ingold","","Journal of Organic Chemistry","2005","70","","4629","4636","10.1021/jo0504060","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020315","12.6673","0.0013","8.121","0.0008","14.0349","0.0014","90","","106.422","0.002","90","","1384.9","0.2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Sergiu Coseri; G. David Mendenhall; K. U. Ingold","","Journal of Organic Chemistry","2005","70","","4629","4636","10.1021/jo0504060","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020316","5.513","0.006","12.528","0.014","26.192","0.023","90","","90","","90","","1809","3.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Paol02","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Xiaochuan Chen; Jinchun Chen; Michael De Paolis; Jieping Zhu","","Journal of Organic Chemistry","2005","70","","4397","4408","10.1021/jo050408k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020317","15.8881","0.0013","9.5511","0.0008","19.7281","0.0015","90","","90.371","0.002","90","","2993.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Br Cl N O9 -","- C28 H31 Br Cl N O9 -","- C112 H124 Br4 Cl4 N4 O36 -","4","1","","Wan-Guo Wei; Zhu-Jun Yao","","Journal of Organic Chemistry","2005","70","","4585","4590","10.1021/jo050414g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020318","9.2669","0.0019","11.841","0.002","18.233","0.004","90","","97.79","0.03","90","","1982.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 Cl2 N O -","- C19 H25 Cl2 N O -","- C76 H100 Cl8 N4 O4 -","4","1","","Congyang Wang; Jiang Lu; Guoliang Mao; Zhenfeng Xi","","Journal of Organic Chemistry","2005","70","","5150","5156","10.1021/jo050433q","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020319","6.4851","0.0006","9.8871","0.0009","10.5663","0.001","100.153","0.001","97.752","0.001","106.194","0.001","628.17","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H39 Br O5 -","- C25 H39 Br O5 -","- C25 H39 Br O5 -","1","1","","Gisele A. Nishiguchi; Daniel Little","","Journal of Organic Chemistry","2005","70","","5249","5256","10.1021/jo050465d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020320","45.53","0.04","33.5","0.04","54.22","0.05","90","","109.04","0.06","90","","78188","124","283","2","283","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C172 H310 B108 Co6 F12 N12 O18 P12 Pt6 S4 -","- C172 B108 Co6 F12 N12 O18 P12 Pt6 S4 -","- C1376 B864 Co48 F96 N96 O144 P96 Pt48 S32 -","8","1","","Manuela Schweiger; Takuya Yamamoto; Peter J. Stang; Dieter Bläser; Roland Boese","","Journal of Organic Chemistry","2005","70","","4861","4864","10.1021/jo050469i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020321","27.979","0.004","43.908","0.006","31.316","0.005","90","","101.585","0.003","90","","37688","9","278","2","278","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C162 H288 B72 Co4 F6 N12 O13 P12 Pt6 S2 -","- C161.5 B72 Co4 F4.5 N12 O11.5 P12 Pt6 S1.5 -","- C646 B288 Co16 F18 N48 O46 P48 Pt24 S6 -","4","1","","Manuela Schweiger; Takuya Yamamoto; Peter J. Stang; Dieter Bläser; Roland Boese","","Journal of Organic Chemistry","2005","70","","4861","4864","10.1021/jo050469i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020322","11.9211","0.0006","8.406","0.0004","9.7895","0.0005","90","","124.064","0.002","90","","812.67","0.07","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 O4 -","- C10 H8 O4 -","- C40 H32 O16 -","4","0.5","","María Victoria Roux; Juan Z. Dávalos; Pilar Jiménez; Rafael Notario; Obis Castaño; James S. Chickos; William Hanshaw; Hui Zhao; Nigam Rath; Joel F. Liebman; Behzad S. Farivar; A. Bashir-Hashemi","","Journal of Organic Chemistry","2005","70","","5461","5470","10.1021/jo050471+","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020323","17.1273","0.0013","9.0809","0.0007","6.937","0.0005","90","","104.85","0.005","90","","1042.88","0.14","143","2","143","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","María Victoria Roux; Juan Z. Dávalos; Pilar Jiménez; Rafael Notario; Obis Castaño; James S. Chickos; William Hanshaw; Hui Zhao; Nigam Rath; Joel F. Liebman; Behzad S. Farivar; A. Bashir-Hashemi","","Journal of Organic Chemistry","2005","70","","5461","5470","10.1021/jo050471+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020324","11.6293","0.0015","13.7395","0.0018","16.846","0.002","90","","105.51","0.002","90","","2593.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Cl6 Cu2 N4 -","- C23 H20 Cl6 Cu2 N4 -","- C92 H80 Cl24 Cu8 N16 -","4","1","","Fabian Mohr; Seth A. Binfield; James C. Fettinger; Andrei N. Vedernikov","","Journal of Organic Chemistry","2005","70","","4833","4839","10.1021/jo050485f","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020325","21.008","0.016","8.111","0.007","15.895","0.013","90","","99.683","0.013","90","","2670","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl3 Cu N2 -","- C11 H9 Cl3 Cu N2 -","- C88 H72 Cl24 Cu8 N16 -","8","1","","Fabian Mohr; Seth A. Binfield; James C. Fettinger; Andrei N. Vedernikov","","Journal of Organic Chemistry","2005","70","","4833","4839","10.1021/jo050485f","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020326","9.1922","0.0007","9.1922","0.0007","29.597","0.003","90","","90","","120","","2165.8","0.3","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C90 H138 N6 O24 -","6","1","","Albert Padwa; John D. Ginn","","Journal of Organic Chemistry","2005","70","","5197","5206","10.1021/jo050515e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020327","13.346","0.002","9.489","0.002","36.686","0.007","89","","89","","90","","4645","1","123.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H17 N5 O -","- C29 H17 N5 O -","- C232 H136 N40 O8 -","8","2","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020328","8.925","0.002","8.797","0.002","31.697","0.007","90","","90","","90","","2488.8","0.8","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N5 O -","- C29 H23 N5 O -","- C116 H92 N20 O4 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020329","11.072","0.005","8.503","0.004","24.75","0.01","90","","102.306","0.007","90","","2276","1","153.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O5 -","- C28 H28 O5 -","- C112 H112 O20 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020330","8.434","0.003","10.485","0.004","25.37","0.009","90","","90","","90","","2243","1","153.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O5 -","- C28 H28 O5 -","- C112 H112 O20 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020331","11.679","0.003","17.481","0.005","20.736","0.005","90","","90","","90","","4233","1","153.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H58 O8 -","- C48 H58 O8 -","- C192 H232 O32 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020332","5.415","0.0002","13.688","0.0005","16.849","0.0007","65.87","0.0015","83.086","0.0015","81.892","0.0018","1125.62","0.07","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H23 F3 N2 O6 S -","- C21 H23 F3 N2 O6 S -","- C42 H46 F6 N4 O12 S2 -","2","2","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez Osés; Jesús M. Peregrina","","Journal of Organic Chemistry","2005","70","","5721","5724","10.1021/jo0505371","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020333","10.4839","0.0004","11.3456","0.0005","12.2094","0.0006","103.358","0.002","91.172","0.002","102.271","0.0019","1376.99","0.1","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 O6 -","- C34 H32 N2 O6 -","- C68 H64 N4 O12 -","2","1","","Daniel L. Comins; Jeffery T. Kuethe; Teresa M. Miller; Florence C. Février; Clinton A. Brooks","Diels-Alder Reactions of N-Acyl-2-alkyl(aryl)-5-vinyl-2,3-dihydro-4-pyridones","Journal of Organic Chemistry","2005","70","","5221","5234","10.1021/jo050559n","","","","","","","","","","","0.051","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4020334","11.9383","0.0015","12.2754","0.0013","13.8877","0.001","104.563","0.008","90.496","0.008","116.938","0.008","1738.3","0.3","219","","219","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H39 N O9 S2 -","- C36 H39 N O9 S2 -","- C72 H78 N2 O18 S4 -","2","1","","Daniel L. Comins; Jeffery T. Kuethe; Teresa M. Miller; Florence C. Février; Clinton A. Brooks","Diels-Alder Reactions of N-Acyl-2-alkyl(aryl)-5-vinyl-2,3-dihydro-4-pyridones","Journal of Organic Chemistry","2005","70","","5221","5234","10.1021/jo050559n","","","","","","","","","","","0.047","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020335","8.347","0.003","11.71","0.002","19.072","0.002","90","","97.94","0.02","90","","1846.2","0.7","193.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cl O P S Se -","- C19 H14 Cl O P S Se -","- C76 H56 Cl4 O4 P4 S4 Se4 -","4","1","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020336","8.719","0.004","13.16","0.006","15.8","0.007","90","","90","","90","","1812","1","296.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N P S Se -","- C16 H22 N P S Se -","- C64 H88 N4 P4 S4 Se4 -","4","1","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020337","16.757","0.001","10.0442","0.0007","22.95","0.002","90","","98.946","0.004","90","","3815.7","0.5","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 F3 O3 P S2 Se -","- C13 H20 F3 O3 P S2 Se -","- C104 H160 F24 O24 P8 S16 Se8 -","8","2","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020338","15.4862","0.0017","8.2197","0.0009","12.8638","0.0014","90","","90","","90","","1637.5","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C72 H96 O16 -","8","2","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020339","12.481","0.005","7.817","0.003","12.573","0.005","90","","98.844","0.007","90","","1212.1","0.9","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020340","10.265","0.0016","5.715","0.0009","16.464","0.003","90","","105.233","0.002","90","","931.9","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020341","5.439","0.0007","15.375","0.002","10.6474","0.0014","90","","98.727","0.002","90","","880.1","0.2","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020342","8.2709","0.0009","12.1819","0.0012","8.7432","0.0009","90","","96.475","0.002","90","","875.3","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl O2 -","- C9 H11 Cl O2 -","- C36 H44 Cl4 O8 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020343","12.177","0.002","9.0889","0.0016","8.1797","0.0014","90","","98.466","0.003","90","","895.5","0.3","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C40 H56 O8 -","4","1","","Tory N. Cayzer; Michael N. Paddon-Row; Damian Moran; Alan D. Payne; Michael S. Sherburn; Peter Turner","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,8-Nonatrienes","Journal of Organic Chemistry","2005","70","","5561","5570","10.1021/jo0505829","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020344","10.6025","0.0004","17.5485","0.0006","37.3067","0.0013","90","","90","","90","","6941.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H78 N9 O21 Rh2 -","- C66 H76 N9 O20 Rh2 -","- C264 H304 N36 O80 Rh8 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020345","10.8222","0.0014","21.851","0.003","30.51","0.004","90","","90","","90","","7214.9","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Rh2-complex","","","- C66 H84 N8 O22 Rh2 -","- C66 H84.003 N8 O22 Rh2 -","- C264 H336.012 N32 O88 Rh8 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020346","15.934","0.003","22.317","0.005","24.695","0.005","90","","90","","90","","8782","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C71 H80 N12 O32 Rh2 S4 -","- C71 H80 N12 O32 Rh2 S4 -","- C284 H320 N48 O128 Rh8 S16 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4020347","14.485","0.0009","15.0017","0.0009","20.52","0.0012","72.813","0.001","89.553","0.001","75.871","0.001","4121","0.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C151.5 H164 N28 O48.5 Rh4 S8 -","- C151.5 H164 N28 O48.5 Rh4 S8 -","- C151.5 H164 N28 O48.5 Rh4 S8 -","1","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020348","12.6291","0.0015","5.2257","0.0006","14.0074","0.0016","90","","113.694","0.0019","90","","846.5","0.17","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C52 H24 F8 -","2","1","","Darryl J. Morrison; Tyler K. Trefz; Warren E. Piers; Robert McDonald; Masood Parvez","","Journal of Organic Chemistry","2005","70","","5309","5312","10.1021/jo0506231","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020349","7.096","0.002","11.347","0.003","12.659","0.004","98.315","0.009","95.017","0.009","101.142","0.017","982.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H12 Br F5 -","- C26 H12 Br F5 -","- C52 H24 Br2 F10 -","2","1","","Darryl J. Morrison; Tyler K. Trefz; Warren E. Piers; Robert McDonald; Masood Parvez","","Journal of Organic Chemistry","2005","70","","5309","5312","10.1021/jo0506231","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020350","5.5724","0.0008","12.1744","0.0018","24.426","0.004","90","","90","","90","","1657","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13.33 Cl0.67 N2 O0.67 -","- C12 H13.3333 Cl0.666667 N2 O0.666667 -","- C72 H80 Cl4 N12 O4 -","6","1.5","","Mark S. Kerr; Javier Read de Alaniz; Tomislav Rovis","","Journal of Organic Chemistry","2005","70","","5725","5728","10.1021/jo050645n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020351","7.3144","0.0005","8.326","0.0006","23.569","0.0017","90","","90","","90","","1435.34","0.18","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Thomas Hjelmgaard; Inger Søtofte; David Tanner","","Journal of Organic Chemistry","2005","70","","5688","5697","10.1021/jo0506682","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020352","17.506","0.004","6.9612","0.0016","24.205","0.005","90","","103.629","0.004","90","","2866.7","1.1","105","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cl3 N3 O -","- C34 H26 Cl3 N3 O -","- C136 H104 Cl12 N12 O4 -","4","1","","Michael J. Hall; Shane O. McDonnell; John Killoran; Donal F. O'Shea","","Journal of Organic Chemistry","2005","70","","5571","5578","10.1021/jo050696k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020353","7.3906","0.0005","12.5141","0.0009","18.0913","0.0012","90","","98.244","0.002","90","","1655.9","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O S -","- C18 H20 N2 O S -","- C72 H80 N8 O4 S4 -","4","2","","James C. Anderson; Gareth P. Howell; Ron M. Lawrence; Claire S. Wilson","","Journal of Organic Chemistry","2005","70","","5665","5670","10.1021/jo050762i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020354","17.447","0.008","6.625","0.003","7.767","0.004","90","","90","","90","","897.8","0.7","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H5 N3 O2 -","- C10 H5 N3 O2 -","- C40 H20 N12 O8 -","4","0.5","","Jordan R. Quinn; Steven C. Zimmerman","Structure-Function Studies on a Synthetic Guanosine Receptor That Simultaneously Binds Watson-Crick and Hoogsteen Sites","Journal of Organic Chemistry","2005","70","","7459","7467","10.1021/jo0501689","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020355","13.103","","10.466","","20.244","","90","","102.35","","90","","2711.9","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N O5 P S -","- C28 H30 N O5 P S -","- C112 H120 N4 O20 P4 S4 -","4","1","","Jean-Luc Pirat; Jérôme Monbrun; David Virieux; Jean-Noël Volle; Monique Tillard; Henri-Jean Cristau","Diastereoselective Addition of 2H-2-Oxo-1,4,2-oxazaphosphinanes to Aldehydes and Imines","Journal of Organic Chemistry","2005","70","","7035","7041","10.1021/jo050201r","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020356","9.6172","0.0009","10.6768","0.001","18.0297","0.0016","90","","90","","90","","1851.3","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O8 -","- C19 H25 N O8 -","- C76 H100 N4 O32 -","4","1","","Michael L. Wilson; Patrick J. Carroll; David R. Dalton","","Journal of Organic Chemistry","2005","70","","6492","6495","10.1021/jo050264+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020357","15.2205","0.0013","6.8785","0.0005","18.554","0.0017","90","","108.506","0.001","90","","1842.1","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","2","","Michael L. Wilson; Patrick J. Carroll; David R. Dalton","","Journal of Organic Chemistry","2005","70","","6492","6495","10.1021/jo050264+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020358","9.4604","0.0015","9.2409","0.0015","14.71","0.002","90","","95.02","0.02","90","","1281.1","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 N2 O2 S2 -","- C26 H36 N2 O2 S2 -","- C52 H72 N4 O4 S4 -","2","1","","Maurizio Benaglia; Tiziana Benincori; Patrizia Mussini; Tullio Pilati; Simona Rizzo; Franco Sannicolò","Steric and Electronic Tuning of Chiral Bis(oxazoline) Ligands with 3,3'-Bithiophene Backbone","Journal of Organic Chemistry","2005","70","","7488","7495","10.1021/jo050267m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020359","11.6524","0.0003","12.5094","0.0001","14.5268","0.0005","80.161","0.002","73.563","0.001","74.995","0.002","1950.78","0.09","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N4 O7 S3 -","- C36 H40 N4 O7 S3 -","- C72 H80 N8 O14 S6 -","2","1","","Sven H. Hausner; Cynthia A. F. Striley; Jeanette A. Krause-Bauer; Hans Zimmer","","Journal of Organic Chemistry","2005","70","","5804","5817","10.1021/jo050281z","","","","","","","0.0784","","","0.2227","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020360","12.733","0.002","8.8578","0.0013","13.232","0.002","90","","96.619","0.003","90","","1482.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C60 H88 N8 O12 -","2","0.5","","Sven H. Hausner; Cynthia A. F. Striley; Jeanette A. Krause-Bauer; Hans Zimmer","","Journal of Organic Chemistry","2005","70","","5804","5817","10.1021/jo050281z","","","","","","","0.0619","","","0.1148","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020361","14.8742","0.0014","6.7877","0.0007","16.8008","0.0016","90","","108.737","0.002","90","","1606.3","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(8-Formyl-pyren-1-yl)-benzonitrile","","","- C24 H13 N O -","- C24 H13 N O -","- C96 H52 N4 O4 -","4","1","","Matthias Beinhoff; Wilfried Weigel; Wolfgang Rettig; Irene Brüdgam; Hans Hartl; Dieter Schlüter","Towards Quantifying a Solvation Gradient in Dendrimers. Phenylene-Alkylene-Dendrons with Site-Specifically Incorporated Solvatochromic Pyrene Probes","Journal of Organic Chemistry","2005","70","","6583","6591","10.1021/jo050302p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020362","14.929","0.003","11.194","0.002","15.075","0.003","90","","99.23","0.03","90","","2486.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Br N2 O6 -","- C25 H20 Br N2 O6 -","- C100 H80 Br4 N8 O24 -","4","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020363","21.844","0.009","9.342","0.004","24.778","0.01","90","","90","","90","","5057","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C192 H256 N16 O48 -","8","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020364","7.5246","0.001","31.609","0.004","9.677","0.0013","90","","98.095","0.002","90","","2278.7","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020365","10.4273","0.0002","9.251","0.0002","11.9107","0.0002","90","","98.884","0.001","90","","1135.16","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","2","","Weiming Luo; Qian-sheng Yu; Harold W. Holloway; Damon Parrish; Nigel H. Greig; Arnold Brossi","","Journal of Organic Chemistry","2005","70","","6171","6176","10.1021/jo0503052","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020366","13.0355","0.0019","13.636","0.002","8.6759","0.0012","90","","100.941","0.002","90","","1514.1","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Weiming Luo; Qian-sheng Yu; Harold W. Holloway; Damon Parrish; Nigel H. Greig; Arnold Brossi","","Journal of Organic Chemistry","2005","70","","6171","6176","10.1021/jo0503052","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020367","5.924","0.0002","14.236","0.0003","7.727","0.0006","90","","102.184","0.002","90","","636.97","0.06","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H24 N4 -","- C13 H24 N4 -","- C26 H48 N8 -","2","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020368","16.4812","0.0011","12.3362","0.0007","17.855","0.0016","90","","90","","90","","3630.2","0.5","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H29 Br N4 -","- C19 H29 Br N4 -","- C152 H232 Br8 N32 -","8","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020369","12.311","0.0002","8.18","0.0001","31.303","0.0005","90","","99.872","0.001","90","","3105.66","0.08","115","2","115","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Cl N4 O2.5 -","- C12 H28 Cl N4 O2.5 -","- C96 H224 Cl8 N32 O20 -","8","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020370","7.084","0.0005","10.3889","0.0005","8.9091","0.0005","90","","98.045","0.001","90","","649.2","0.2","115","2","115","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 N4 -","- C14 H26 N4 -","- C28 H52 N8 -","2","0.5","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020371","13.678","0.004","15.941","0.003","17.499","0.003","90","","103.49","0.02","90","","3710","1","301.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H46 N4 O8 Si -","- C34 H46 N4 O8 Si -","- C136 H184 N16 O32 Si4 -","4","1","","Ken-ichi Sato; Shoji Akai; Naoki Sugita; Tadatsugu Ohsawa; Tomokazu Kogure; Hirotsugu Shoji; Juji Yoshimura","Novel and Stereocontrolled Synthesis of (±)-Tetrodotoxin from myo-Inositol","Journal of Organic Chemistry","2005","70","","7496","7504","10.1021/jo050342t","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4020372","6.928","","9.9129","","12.5725","","90","","90","","90","","863.44","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H N S -","- C28 H52 N4 O8 S4 -","- C28 H52 N4 O8 S4 -","","","","Li Gao; Rawle I. Hollingsworth","Design and Evaluation of Dihydroxytetrahydro-1H-pyrrolo[2,1-c]-[1,4]benzothiazines as Conformationally Restricted Transition-State Inhibitors of β-Ribosidases","Journal of Organic Chemistry","2005","70","","9013","9016","10.1021/jo050374g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020374","5.6269","0.0006","36.295","0.004","7.6556","0.0009","90","","90.712","0.004","90","","1563.4","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","2","","Jonathan D. Toker; Martin R. Tremblay; Jari Yli-Kauhaluoma; Anita D. Wentworth; Bin Zhou; Paul Wentworth, Jr.; Kim D. Janda","Exploring the Scope of the 29G12 Antibody Catalyzed 1,3-Dipolar Cycloaddition Reaction","Journal of Organic Chemistry","2005","70","","7810","7815","10.1021/jo050410b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020375","9.729","0.001","10.142","0.003","10.829","0.002","111.07","0.02","91.51","0.02","106.99","0.02","943.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C50 H38 N2 O6 -","2","1","","Hassan Sheibani; Paul V. Bernhardt; Curt Wentrup","","Journal of Organic Chemistry","2005","70","","5859","5861","10.1021/jo050428m","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020376","16.512","0.0002","12.197","0.0002","26.853","0.0004","90","","99.718","0.0005","90","","5330.51","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 O7 W -","- C29 H22 O7 W -","- C232 H176 O56 W8 -","8","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna; José Barluenga","","Journal of Organic Chemistry","2005","70","","5852","5858","10.1021/jo050443r","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020377","7.674","0.001","13.3249","0.0017","25.56","0.003","90","","91.49","0.003","90","","2612.8","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 N2 O -","- C15 H11 F3 N2 O -","- C120 H88 F24 N16 O8 -","8","2","","Choong Leol Yoo; James C. Fettinger; Mark J. Kurth","Stannous Chloride in Alcohol: A One-Pot Conversion of 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones","Journal of Organic Chemistry","2005","70","","6941","6943","10.1021/jo050450f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020378","7.8186","0.0005","12.8815","0.0008","13.7597","0.0008","90","","90","","90","","1385.81","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C64 H52 F12 N8 O4 -","4","1","","Choong Leol Yoo; James C. Fettinger; Mark J. Kurth","Stannous Chloride in Alcohol: A One-Pot Conversion of 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones","Journal of Organic Chemistry","2005","70","","6941","6943","10.1021/jo050450f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020379","10.1002","0.0006","11.4854","0.0007","11.816","0.0007","90","","90","","90","","1370.71","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Fe N4 O -","- C17 H12 Fe N4 O -","- C68 H48 Fe4 N16 O4 -","4","1","","Francisco Otón; Alberto Tarraga; Arturo Espinosa; Maria D. Velasco; Delia Bautista; Pedro Molina","Preparation, Structure, and Anion Sensing Properties of 1,n-Diaza[n]ferrocenophanes","Journal of Organic Chemistry","2005","70","","6603","6608","10.1021/jo050458p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020380","14.755","0.003","12.198","0.002","6.98","0.0014","90","","97.27","0.03","90","","1246.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N4 S -","- C13 H10 N4 S -","- C52 H40 N16 S4 -","4","0.5","","Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou","Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione","Journal of Organic Chemistry","2005","70","","8322","8326","10.1021/jo0504767","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020381","18.381","0.004","6.1799","0.0012","6.1865","0.0012","90","","90","","90","","702.7","0.2","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C7.5 H7 N2 S0.5 -","- C7.5 H7 N2 S0.5 -","- C30 H28 N8 S2 -","4","1","","Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou","Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione","Journal of Organic Chemistry","2005","70","","8322","8326","10.1021/jo0504767","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020382","5.16","0.002","10.5619","0.0007","11.939","0.002","108.097","0.008","99","0.03","94.537","0.017","605.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O6 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Teresa M. V. D. Pinho e Melo; Maria I. L. Soares; António M. d'A. Rocha Gonsalves; José A. Paixão; Ana Matos Beja; Manuela Ramos Silva","N-Vinyl- and C-Vinylpyrroles from Azafulvenium Methides. Flash Vacuum Pyrolysis Route to 5-Oxo-5H-pyrrolizines and 1-Azabenzo[f]azulenes","Journal of Organic Chemistry","2005","70","","6629","6638","10.1021/jo050480i","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020383","13.1511","0.0009","14.4021","0.001","15.4194","0.0011","87.811","0.001","76.823","0.001","62.993","0.001","2526.3","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Cl3 I O2 Si -","- C50 H64 Cl3 I O2 Si -","- C100 H128 Cl6 I2 O4 Si2 -","2","1","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020384","13.2179","0.001","18.0859","0.0014","22.4324","0.0018","106.191","0.001","90.743","0.001","101.502","0.002","5033.1","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H63 F3 O5 S Si -","- C50 H58.5 F3 O5 S Si -","- C200 H234 F12 O20 S4 Si4 -","4","2","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020385","11.757","0.004","46.193","0.014","9.611","0.003","90","","106.585","0.005","90","","5002","3","193","2","193","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C60 H64 O2 -","- C60 H64 O2 -","- C240 H256 O8 -","4","1","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020386","14.0559","0.0014","24.827","0.002","12.3001","0.0012","90","","92.362","0.002","90","","4288.6","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 F3 O5 S -","- C47 H55 F3 O5 S -","- C188 H220 F12 O20 S4 -","4","1","","Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou","Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions","Journal of Organic Chemistry","2005","70","","8273","8280","10.1021/jo050488s","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020387","14.013","0.002","13.884","0.002","12.1079","0.0018","90","","120.106","0.002","90","","2037.9","0.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C16 H21 Br Cl3 N O Pd -","- C16 H21 Br Cl3 N O Pd -","- C64 H84 Br4 Cl12 N4 O4 Pd4 -","4","1","","Ke Yuan; Ting Ke Zhang; Xue Long Hou","","Journal of Organic Chemistry","2005","70","","6085","6088","10.1021/jo050491b","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020388","14.914","0.0013","8.475","0.0011","11.915","0.0006","90","0.005","102.592","0.006","90","0.01","1469.8","0.2","122","2","122","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","E,E-2,3,4,5-Tetrabromo-1,4-Bis- [2-(N-methyl-pyridininium)-vinyl]-benzene methylsulfate","","","- C24 H24 Br4 N2 O8 S2 -","- C24 H24 Br4 N2 O8 S2 -","- C48 H48 Br8 N4 O16 S4 -","2","0.5","","Christian B. Nielsen; Mette Johnsen; Jacob Arnbjerg; Michael Pittelkow; Sean P. McIlroy; Peter R. Ogilby; Mikkel Jørgensen","Synthesis and Characterization of Water-Soluble Phenylene-Vinylene-Based Singlet Oxygen Sensitizers for Two-Photon Excitation","Journal of Organic Chemistry","2005","70","","7065","7079","10.1021/jo050507y","","","","","","","","","","","","","","","","","","","","","has coordinates","178381","2020-10-21","18:00:00",""
"4020389","8.1636","0.0013","8.7184","0.0014","10.1021","0.0016","79.409","0.004","74.124","0.004","81.613","0.004","676.31","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 N3 O5 P -","- C11 H14 N3 O5 P -","- C22 H28 N6 O10 P2 -","2","1","","Diana S. Stoianova; Alan Whitehead; Paul R. Hanson","P-Heterocyclic Building Blocks: Application to the Stereoselective Synthesis of P-Sugars.","Journal of Organic Chemistry","2005","70","","5880","5889","10.1021/jo0505122","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020390","10.7925","0.0016","11.2104","0.0017","15.047","0.002","90","","90","","90","","1820.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O5 S -","- C17 H26 N2 O5 S -","- C68 H104 N8 O20 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020391","9.8902","0.0013","10.0941","0.0013","23.188","0.003","90","","90","","90","","2314.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N4 O5 S -","- C21 H32 N4 O5 S -","- C84 H128 N16 O20 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020392","11.476","0.002","14.104","0.002","14.63","0.002","90","","90","","90","","2367.9","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N4 O6 S -","- C21 H34 N4 O6 S -","- C84 H136 N16 O24 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020393","9.6126","0.0006","25.343","0.0017","8.5716","0.0006","90","","107.937","0.001","90","","1986.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C92 H80 N8 O12 S4 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020394","11.7418","0.0012","7.5791","0.0007","25.423","0.003","90","","97.206","0.002","90","","2244.6","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O4 S -","- C25 H26 N2 O4 S -","- C100 H104 N8 O16 S4 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020395","7.9459","0.0015","10.902","0.002","12.047","0.002","96.386","0.003","94.215","0.004","95.746","0.004","1028.1","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C48 H42 N2 O8 S2 -","2","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020396","10.626","0.0016","20.419","0.003","9.0204","0.0012","90","","108.971","0.003","90","","1850.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl N2 -","- C22 H25 Cl N2 -","- C88 H100 Cl4 N8 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020397","12.1159","0.0012","11.3755","0.0011","10.6198","0.001","90","","95.253","0.002","90","","1457.5","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020398","9.2246","0.0008","11.634","0.0011","14.77","0.0014","90","","91.058","0.002","90","","1584.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Weixiang Dai; Jeffrey L. Petersen; Kung K. Wang","Synthesis of Indeno-Fused Derivatives of Quinolizinium Salts, Imidazo[1,2-a]pyridine, Pyrido[1,2-a]indole, and 4H-Quinolizin-4-one via Benzannulated Enyne-Allenes","Journal of Organic Chemistry","2005","70","","6647","6652","10.1021/jo0505730","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020399","12.5015","0.0008","35.409","0.002","14.2168","0.001","90","","110.7","0.008","90","","5887.1","0.7","200","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C59 H75 N3 O4 S5 -","- C59 H73 N3 O4 S5 -","- C236 H292 N12 O16 S20 -","4","1","","Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé","","Journal of Organic Chemistry","2005","70","","6254","6257","10.1021/jo0505876","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020400","12.9144","0.0009","23.419","0.0013","38.574","0.003","90","","90","","90","","11666.4","1.4","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C117 H149 Cl2 N5 O8 S8 -","- C117 H128 Cl2 N5 O8 S8 -","- C468 H512 Cl8 N20 O32 S32 -","4","1","","Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé","","Journal of Organic Chemistry","2005","70","","6254","6257","10.1021/jo0505876","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020401","8.047","0.002","8.266","0.002","10.044","0.003","101.308","0.004","106.61","0.004","113.598","0.004","548.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Li2 O4 S2 -","- C20 H30 Li2 O4 S2 -","- C20 H30 Li2 O4 S2 -","1","0.5","","Kevin L. Jantzi; Craig L. Puckett; Ilia A. Guzei; Hans J. Reich","Solution Structure and Chelation Properties of 2-Thienyllithium Reagents","Journal of Organic Chemistry","2005","70","","7520","7529","10.1021/jo050592+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020402","4.354","0.004","22.74","0.02","12.12","0.01","90","","105.022","0.008","90","","1159","1.8","296.2","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Yoshihito Ueno; Takumi Kato; Kumiko Sato; Yasutomo Ito; Mahito Yoshida; Takumi Inoue; Aya Shibata; Masahiro Ebihara; Yukio Kitade","Synthesis and Properties of Nucleic Acid Analogues Consisting of a Benzene-Phosphate Backbone","Journal of Organic Chemistry","2005","70","","7925","7935","10.1021/jo050635m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020403","8.4023","0.0002","16.1062","0.0004","17.4221","0.0006","90","","90","","90","","2357.72","0.11","150","","150","","","","","","","","","3","P n a a","-P 2ac 2bc","56","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C112 H128 O16 -","8","1","","Jeremy Robertson; Petra M. Stafford; Stephen J. Bell","Silatropic Carbonyl Ene Cyclizations in the Synthesis of Pseudosugars and Hydroxylated Piperidines","Journal of Organic Chemistry","2005","70","","7133","7148","10.1021/jo050644v","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020404","11.4814","0.0001","36.1664","0.0005","14.6605","0.0002","90","","99.361","0.001","90","","6006.57","0.13","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 F10 N6 O5 -","- C55 H81 F10 N6 O4 -","- C220 H324 F40 N24 O16 -","4","1","","Jonathan L. Sessler; Won-Seob Cho; Dustin E. Gross; James A. Shriver; Vincent M. Lynch; Manuel Márquez","","Journal of Organic Chemistry","2005","70","","5982","5986","10.1021/jo050662c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020405","13.6372","0.0002","17.3214","0.0002","21.0872","0.0003","65.928","0.001","85.442","0.001","81.976","0.001","4502.01","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 Cl F8 N5 -","- C44 H64 Cl F8 N5 -","- C176 H256 Cl4 F32 N20 -","4","2","","Jonathan L. Sessler; Won-Seob Cho; Dustin E. Gross; James A. Shriver; Vincent M. Lynch; Manuel Márquez","","Journal of Organic Chemistry","2005","70","","5982","5986","10.1021/jo050662c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020406","7.828","0.001","14.7948","0.0018","20.827","0.003","90","","96.982","0.002","90","","2394.2","0.5","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N6 S2 -","- C27 H22 N6 S2 -","- C108 H88 N24 S8 -","4","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020407","7.3216","0.0013","21.448","0.004","28.651","0.005","90","","90","","90","","4499.2","1.4","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N6 S2 -","- C25 H18 N6 S2 -","- C200 H144 N48 S16 -","8","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020408","9.8636","0.0015","10.2583","0.0016","10.4084","0.0016","99.58","0.003","107.887","0.003","115.446","0.002","848.7","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","15d","","","- C16 H16 N6 S2 -","- C16 H16 N6 S2 -","- C32 H32 N12 S4 -","2","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020409","6.8229","0.0008","15.473","0.0017","18.734","0.002","90","","90","","90","","1977.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O9 -","- C19 H27 N O9 -","- C76 H108 N4 O36 -","4","1","","Jhimli Sengupta; Ranjan Mukhopadhyay; Anup Bhattacharjya; Mohan M. Bhadbhade; Gaurav V. Bhosekar","Synthesis and Intramolecular Nitrile Oxide Cycloaddition of 3,5'-Ether-Linked Pseudooligosaccharide Derivatives: An Approach to Chiral Macrooxacycles","Journal of Organic Chemistry","2005","70","","8579","8582","10.1021/jo050689w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020410","11.9781","0.0011","12.6453","0.0011","12.747","0.0011","91.735","0.002","99.01","0.002","104.966","0.002","1837.2","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H28 F6 N2 S2 -","- C45 H28 F6 N2 S2 -","- C90 H56 F12 N4 S4 -","2","1","","Hyunbong Choi; Hyowon Lee; Youngjin Kang; Eunkyoung Kim; Sang Ook Kang; Jaejung Ko","Photochromism and Electrical Transport Characteristics of a Dyad and a Polymer with Diarylethene and Quinoline Units","Journal of Organic Chemistry","2005","70","","8291","8297","10.1021/jo050710t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020411","11.5153","0.0008","13.6718","0.001","15.2276","0.0011","109.756","0.001","105.981","0.001","102.121","0.002","2043.8","0.3","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F6 N2 O S2 -","- C46 H28 F6 N2 O S2 -","- C92 H56 F12 N4 O2 S4 -","2","1","","Hyunbong Choi; Hyowon Lee; Youngjin Kang; Eunkyoung Kim; Sang Ook Kang; Jaejung Ko","Photochromism and Electrical Transport Characteristics of a Dyad and a Polymer with Diarylethene and Quinoline Units","Journal of Organic Chemistry","2005","70","","8291","8297","10.1021/jo050710t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020412","7.2972","0.0006","8.6769","0.0007","9.8312","0.0012","114.432","0.002","111.244","0.002","92.708","0.002","513.78","0.09","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","1","1","","Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen","Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis","Journal of Organic Chemistry","2005","70","","8332","8337","10.1021/jo050714y","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020413","9.0037","0.0004","23.3605","0.001","10.2352","0.0005","90","","105.384","0.001","90","","2075.64","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 Fe N2 -","- C27 H24 Fe N2 -","- C108 H96 Fe4 N8 -","4","2","","Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen","Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis","Journal of Organic Chemistry","2005","70","","8332","8337","10.1021/jo050714y","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020414","14.3192","0.0008","14.3192","0.0008","27.995","0.002","90","","90","","120","","4971.1","0.5","193","2","193","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C168 H192 N18 O75 -","- C168 H186 N18 O75.06 -","- C168 H186 N18 O75.06 -","1","0.0555556","","Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer","Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties","Journal of Organic Chemistry","2005","70","","6027","6033","10.1021/jo050717a","","","","","","","","","","0.2175","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020415","12.4354","0.0005","12.1584","0.0003","17.9173","0.0008","90","","95.922","0.002","90","","2694.54","0.18","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N3 O9 -","- C28 H25 N3 O9 -","- C112 H100 N12 O36 -","4","1","","Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer","Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties","Journal of Organic Chemistry","2005","70","","6027","6033","10.1021/jo050717a","","","","","","","","","","0.1512","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020416","9.792","0.004","10.144","0.005","22.818","0.014","90","","90","","90","","2266.5","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","FLAMANT021","","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C84 H120 N8 O20 -","4","1","","Sukeerthi Kumar; Céline Flamant-Robin; Qian Wang; Angèle Chiaroni; N. André Sasaki","","Journal of Organic Chemistry","2005","70","","5946","5953","10.1021/jo050736k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020417","8.142","0.005","10.888","0.005","14.672","0.005","95.894","0.005","99.268","0.005","102.143","0.005","1242.3","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H28 O15 -","- C22 H28 O15 -","- C44 H56 O30 -","2","1","","Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman","Concise Synthesis of Novel Oxa-Bridged Compounds","Journal of Organic Chemistry","2005","70","","7565","7577","10.1021/jo0507385","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020418","8.062","0.005","10.868","0.005","13.771","0.005","104.681","0.005","90.614","0.005","102.133","0.005","1138.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 Cl2 O12 -","- C21 H24 Cl2 O12 -","- C42 H48 Cl4 O24 -","2","1","","Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman","Concise Synthesis of Novel Oxa-Bridged Compounds","Journal of Organic Chemistry","2005","70","","7565","7577","10.1021/jo0507385","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020419","19.741","0.0015","9.546","0.0009","13.3","0.0011","90","","96.51","0.007","90","","2490.2","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 O14 -","- C23 H30 O14 -","- C92 H120 O56 -","4","0.5","","Faiz Ahmed Khan; Jyotirmayee Dash; Ch. Sudheer; Nilam Sahu; Karuppasamy Parasuraman","Concise Synthesis of Novel Oxa-Bridged Compounds","Journal of Organic Chemistry","2005","70","","7565","7577","10.1021/jo0507385","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020420","9.87","0.003","13.506","0.004","21.404","0.006","90","","90","","90","","2853.2","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H47 N3 O4 -","- C24 H47 N3 O4 -","- C96 H188 N12 O16 -","4","1","","Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6746","6756","10.1021/jo050740w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020421","23.472","0.009","15.475","0.004","19.37","0.004","90","","125.82","0.02","90","","5705","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H45 N3 O5 -","- C25 H45 N3 O5 -","- C200 H360 N24 O40 -","8","2","","Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6746","6756","10.1021/jo050740w","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020422","10.3139","0.0009","16.569","0.002","22.171","0.003","83.097","0.004","79.186","0.004","77.884","0.004","3625.7","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H96 N12 O18 -","- C66 H78 N10 O16 -","- C132 H156 N20 O32 -","2","1","","Amanda J. Gallant; Joseph K.-H. Hui; Federico E. Zahariev; Yan Alexander Wang; Mark J. MacLachlan","Synthesis, Structure, and Computational Studies of Soluble Conjugated Multidentate Macrocycles","Journal of Organic Chemistry","2005","70","","7936","7946","10.1021/jo050742g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020423","7.109","0.002","9.531","0.002","13.161","0.003","80.08","0.02","83.7","0.02","85.63","0.02","871.5","0.4","298.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C36 H38 N2 O8 S2 -","2","1","","Shengming Ma; Zhenhua Gu; Zhanqian Yu","","Journal of Organic Chemistry","2005","70","","6291","6294","10.1021/jo0507441","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020424","16.8651","0.0017","8.9696","0.001","7.6142","0.0008","90","","90","","90","","1151.8","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","0.5","","Shengming Ma; Zhenhua Gu; Zhanqian Yu","","Journal of Organic Chemistry","2005","70","","6291","6294","10.1021/jo0507441","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020425","5.9105","0.0005","9.4071","0.0008","27.0869","0.0019","90","","94.813","0.007","90","","1500.7","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H38 N2 O5 S2 -","- C31 H38 N2 O5 S2 -","- C62 H76 N4 O10 S4 -","2","1","","Donald Craig; Fabienne Grellepois; Andrew J. P. White","Asymmetric Decarboxylative Claisen Rearrangement Reactions of Sulfoximine-Substituted Allylic Tosylacetic Esters","Journal of Organic Chemistry","2005","70","","6827","6832","10.1021/jo050747d","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020426","11.7597","0.0009","12.5439","0.0008","13.2635","0.0009","108.493","0.006","102.329","0.006","107.814","0.006","1658.7","0.2","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H47 N O3 S2 -","- C32 H47 N O3 S2 -","- C64 H94 N2 O6 S4 -","2","2","","Donald Craig; Fabienne Grellepois; Andrew J. P. White","Asymmetric Decarboxylative Claisen Rearrangement Reactions of Sulfoximine-Substituted Allylic Tosylacetic Esters","Journal of Organic Chemistry","2005","70","","6827","6832","10.1021/jo050747d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020427","8.201","0.0002","12.235","0.0003","35.164","0.0011","90","","90","","90","","3528.33","0.16","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N6 O4 S2 -","- C15 H18 N6 O4 S2 -","- C120 H144 N48 O32 S16 -","8","1","","Regis Leung-Toung; Tim F. Tam; Yanqing Zhao; Craig D. Simpson; Wanren Li; Denis Desilets; Khashayar Karimian","","Journal of Organic Chemistry","2005","70","","6230","6241","10.1021/jo0507486","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020428","9.71","0.003","10.824","0.002","21.069","0.008","90","","90","","90","","2214.4","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C96 H124 N4 O12 -","4","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020429","7.636","0.002","10.547","0.004","15.442","0.007","80.12","0.04","79.42","0.03","68.96","0.03","1133.4","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C48 H62 N2 O6 -","2","2","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020430","10.464","0.004","10.343","0.003","10.866","0.006","90","","93.45","0.04","90","","1173.9","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C54 H58 N2 O6 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020431","7.781","0.003","24.48","0.011","10.034","0.004","90","","90","","90","","1911.3","1.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020432","10.9502","0.0002","9.038","0.0002","11.4961","0.0002","90","","91.385","0.001","90","","1137.41","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C54 H58 N2 O6 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020433","12.445","0.003","10.28","0.003","12.701","0.003","90","","111","0.02","90","","1517","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H45 N O3 Si -","- C29.982 H45 N O3 Si -","- C59.964 H90 N2 O6 Si2 -","2","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020434","9.98","0.002","10.189","0.005","10.21","0.003","96.32","0.03","113.03","0.02","105.45","0.03","893.7","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C34 H53 N O2 S2 Si -","- C34 H53 N O2 S2 Si -","- C34 H53 N O2 S2 Si -","1","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020435","5.7176","0.0009","10.4131","0.0015","17.571","0.003","90","","96.229","0.013","90","","1040","0.3","296","2","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 O8 P -","- C18 H25 O8 P -","- C36 H50 O16 P2 -","2","1","","Silvano Cruz-Gregorio; Mario Sánchez; Angel Clara-Sosa; Sylvain Bèrnes; Leticia Quintero; Fernando Sartillo-Piscil","Intramolecular Hydrogen Bonding (P=O‒H) Stabilizes the Chair Conformation of Six-Membered Ring Phosphates","Journal of Organic Chemistry","2005","70","","7107","7113","10.1021/jo050753+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020436","18.3858","0.0003","26.1493","0.0004","10.2794","0.0002","90","","90","","90","","4942.09","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C224 H240 N16 O24 -","8","2","","Gregory K. Friestad; Cristian Draghici; Mustapha Soukri; Jun Qin","","Journal of Organic Chemistry","2005","70","","6330","6338","10.1021/jo050756m","","","","","","","0.0644","","","0.1213","0.1285","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020437","5.9344","0.0002","24.3093","0.0009","9.4231","0.0004","90","","98.668","0.001","90","","1343.86","0.09","150.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O -","- C18 H18 O -","- C72 H72 O4 -","4","1","","Reema K. Thalji; Kateri A. Ahrendt; Robert G. Bergman; Jonathan A. Ellman","Annulation of Aromatic Imines via Directed C-H Bond Activation","Journal of Organic Chemistry","2005","70","","6775","6781","10.1021/jo050757e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020438","16.1589","0.0007","8.0433","0.0002","18.0403","0.0007","90","","93.164","0.001","90","","2341.14","0.15","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 6b","","","- C29 H20 Cl F N2 O2 -","- C29 H20 Cl F N2 O2 -","- C116 H80 Cl4 F4 N8 O8 -","4","1","","Kamal M. Dawood; Toshio Fuchigami","Electrolytic Partial Fluorination of Organic Compounds. Anodic Fluorination of Spiropyrazoline-5,3'-chroman-4-ones and Thiochromanone Analogues. A Route to Aroyl Fluoride Derivatives","Journal of Organic Chemistry","2005","70","","7537","7541","10.1021/jo0507587","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020439","12.859","0.001","14.567","0.002","14.729","0.002","90","","92.67","0.01","90","","2756","0.6","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C31 H20 Cl4 N2 O5 -","- C31 H20 Cl4 N2 O5 -","- C124 H80 Cl16 N8 O20 -","4","1","","Stéphanie Leroy-Lhez; Jérôme Baffreau; Lara Perrin; Eric Levillain; Magali Allain; María-Jesús Blesa; Piétrick Hudhomme","","Journal of Organic Chemistry","2005","70","","6313","6320","10.1021/jo050766n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020440","14.615","0.001","15.929","0.001","8.391","0.002","90","","90","","90","","1953.3","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 S -","- C23 H24 O2 S -","- C92 H96 O8 S4 -","4","1","","Chisato Mukai; Fuyuhiko Inagaki; Tatsunori Yoshida; Katsuya Yoshitani; Yasuyuki Hara; Shinji Kitagaki","Rh(I)-Catalyzed Pauson-Khand Reaction and Cycloisomerization of Allenynes: Selective Preparation of Monocyclic, Bicyclo[m.3.0], and Bicyclo[5.2.0] Ring Systems","Journal of Organic Chemistry","2005","70","","7159","7171","10.1021/jo050770z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020441","12.6369","0.0003","12.6369","0.0003","40.5962","0.0009","90","","90","","90","","6482.9","0.3","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C64 H94 Ca O16 -","- C64 H94 Ca O16 -","- C256 H376 Ca4 O64 -","4","0.5","","Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee","","Journal of Organic Chemistry","2005","70","","6321","6329","10.1021/jo0507993","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020442","13.427","0.003","20.167","0.004","13.818","0.003","90","","112.033","0.004","90","","3468.6","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H99 Cl4 Na O16 -","- C66.007 H98 Cl4 Na O16 -","- C132.014 H196 Cl8 Na2 O32 -","2","1","","Eun Joo Kang; Eun Jin Cho; Mi Kyung Ji; Young Eun Lee; Dong Mok Shin; Soo Young Choi; Young Keun Chung; Jong-Seo Kim; Hie-Joon Kim; Sueg-Geun Lee; Myoung Soo Lah; Eun Lee","","Journal of Organic Chemistry","2005","70","","6321","6329","10.1021/jo0507993","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020443","5.7086","0.0003","13.0589","0.0007","15.2878","0.0008","90","","90","","90","","1139.68","0.1","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink","1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses","Journal of Organic Chemistry","2005","70","","8344","8351","10.1021/jo050806n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020444","35.331","0.003","10.4015","0.0008","8.7744","0.0007","90","","96.181","0.002","90","","3205.8","0.4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","2","","Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink","1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses","Journal of Organic Chemistry","2005","70","","8344","8351","10.1021/jo050806n","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020445","5.5546","0.0005","39.599","0.003","7.3808","0.0006","90","","98.301","0.002","90","","1606.4","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink","1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses","Journal of Organic Chemistry","2005","70","","8344","8351","10.1021/jo050806n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020446","11.699","0.008","17.054","0.01","14.58","0.009","90","","107.79","0.016","90","","2770","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 N O3 Si -","- C30 H33 N O3 Si -","- C120 H132 N4 O12 Si4 -","4","2","","Cristóbal de los Ríos; Louis S. Hegedus","","Journal of Organic Chemistry","2005","70","","6541","6543","10.1021/jo050813b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020447","7.2232","0.0008","7.5093","0.0009","7.8888","0.0009","107.757","0.002","103.321","0.002","115.075","0.002","335.49","0.07","150","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C12 H12 N4 O6 -","2","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:47",""
"4020448","8.714","0.001","25.943","0.003","11.641","0.002","90","","90.931","0.002","90","","2631.3","0.6","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C120 H128 N8 O24 -","4","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020449","7.972","0.001","8.15","0.001","12.401","0.002","85.164","0.004","88.471","0.004","71.878","0.004","763.02","0.18","150","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O8 -","- C14 H18 N2 O8 -","- C28 H36 N4 O16 -","2","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020450","11.937","0.002","7.5972","0.0009","16.739","0.002","90","","110.521","0.005","90","","1421.7","0.3","110","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H35 N3 O5 S -","- C32 H35 N3 O5 S -","- C64 H70 N6 O10 S2 -","2","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020451","8.976","0.003","8.976","0.003","17.269","0.005","90","","90","","120","","1204.9","0.7","150","2","","","","","","","","","","4","P 31","P 31","144","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C51 H48 N6 O18 -","3","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020452","15.0599","0.001","13.7053","0.001","10.3642","0.0009","90","","94.456","0.002","90","","2132.7","0.3","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C96 H104 N8 O24 -","4","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020453","10.421","0.003","22.846","0.005","11.407","0.003","90","","114.904","0.004","90","","2463.2","1.1","150","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C108 H128 N8 O24 -","4","1","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020454","12.689","0.002","16.874","0.002","26.23","0.004","90","","90","","90","","5616.2","1.4","150","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 N2 O7 -","- C29 H36 N2 O7 -","- C232 H288 N16 O56 -","8","2","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020455","11.0652","0.0013","14.1943","0.0019","13.049","0.002","90","","113.227","0.011","90","","1883.4","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C84 H84 N4 O28 -","4","1","","Xiangshu Xiao; Mark Cushman","","Journal of Organic Chemistry","2005","70","","6496","6498","10.1021/jo050831t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020456","9.0715","0.0003","12.551","0.0005","17.8175","0.0007","90","","90","","90","","2028.64","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C72 H132 N4 O16 -","4","1","","Esa T. T. Kumpulainen; Juho Helaja; Jari Koivisto; Ari M. P. Koskinen; Heidi Mansikkamäki; Kari Rissanen","","Journal of Organic Chemistry","2005","70","","6447","6453","10.1021/jo050838a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020457","6.325","0.0007","10.4854","0.0016","24.049","0.004","90","","90","","90","","1594.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C56 H100 N4 O16 -","4","1","","Esa T. T. Kumpulainen; Juho Helaja; Jari Koivisto; Ari M. P. Koskinen; Heidi Mansikkamäki; Kari Rissanen","","Journal of Organic Chemistry","2005","70","","6447","6453","10.1021/jo050838a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020458","11.466","0.002","13.3","0.003","12.444","0.003","90","","90.18","0.03","90","","1897.7","0.7","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C44 H52 O8 -","- C44 H52 O8 -","- C88 H104 O16 -","2","1","","Carmen Mateo; Concepción Pérez-Melero; Rafael Peláez; Manuel Medarde","","Journal of Organic Chemistry","2005","70","","6544","6547","10.1021/jo0508393","","","","","","","0.0629","","","0.1663","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020459","16.8495","0.001","4.0353","0.0003","14.816","0.0009","90","","94.338","0.007","90","","1004.5","0.11","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H7 Br2 N O2 -","- C9 H7 Br2 N O2 -","- C36 H28 Br8 N4 O8 -","4","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020460","8.9454","0.0001","10.6027","0.0002","22.6236","0.0003","90","","90","","90","","2145.74","0.05","213","2","213","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H12 Br4 O8 -","- C19.995 H12 Br4 O7.995 -","- C79.98 H48 Br16 O31.98 -","4","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020461","38.2555","0.001","4.6699","0.0001","14.6279","0.0004","90","","94.597","0.002","90","","2604.86","0.11","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br2 N2 O5 -","- C10 H10 Br2 N2 O5 -","- C80 H80 Br16 N16 O40 -","8","1","","J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling","","Journal of Organic Chemistry","2005","70","","6398","6403","10.1021/jo050846r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020462","17.7013","0.0007","6.9932","0.0003","16.8375","0.0006","90","","118.152","0.001","90","","1837.7","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F3 N3 -","- C9 H10 F3 N3 -","- C72 H80 F24 N24 -","8","2","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020463","7.4427","0.0001","14.1667","0.0002","16.6939","0.0003","90","","90","","90","","1760.18","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 F3 N3 -","- C21 H18 F3 N3 -","- C84 H72 F12 N12 -","4","1","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020464","5.3233","0.0002","13.1981","0.0005","14.7664","0.0006","90","","96.62","0.02","90","","1030.53","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 F2 N3 O -","- C10 H13 F2 N3 O -","- C40 H52 F8 N12 O4 -","4","1","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020465","8.7228","0.0003","18.3386","0.0007","7.2367","0.0003","90","","99.587","0.002","90","","1141.44","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 F2 N3 O -","- C11 H15 F2 N3 O -","- C44 H60 F8 N12 O4 -","4","1","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020466","13.5798","0.0018","14.1602","0.0019","17.503","0.002","91.381","0.002","94.924","0.002","98.849","0.002","3311","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H22 N4 O3 -","- C15 H22 N4 O3 -","- C120 H176 N32 O24 -","8","4","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020467","6.467","0.004","13.91","0.008","16.488","0.01","90.717","0.011","91.918","0.011","95.011","0.011","1476.6","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H42 N4 O3 -","- C31 H42 N4 O3 -","- C62 H84 N8 O6 -","2","1","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020468","23.675","0.003","18.479","0.003","30.427","0.004","90","","100.69","0.003","90","","13081","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N4 O3 -","- C23 H26 N4 O3 -","- C552 H624 N96 O72 -","24","6","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020469","12.065","0.009","13.786","0.01","14.428","0.01","98.58","0.03","108.43","0.02","100.28","0.02","2185","3","406","2","406","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N4 O5 -","- C21 H24 N4 O5 -","- C84 H96 N16 O20 -","4","2","","Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan","","Journal of Organic Chemistry","2005","70","","6461","6467","10.1021/jo0508705","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020470","11.1268","0.0011","11.8072","0.0012","13.0058","0.0013","112.48","0.002","108.985","0.002","97.156","0.002","1431","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 I O4 -","- C14 H13 I O4 -","- C56 H52 I4 O16 -","4","2","","Shengming Ma; Lianghua Lu","An Efficient Stereoselective Synthesis of 4,5-trans-1,5-cis-3-Oxabicyclo[3.1.0]hexan-2-ones via the Iodolactonization of Alkylidenecyclopropyl Esters","Journal of Organic Chemistry","2005","70","","7629","7633","10.1021/jo050878e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020471","12.1972","0.0014","8.5235","0.001","15.2518","0.0018","90","","96.356","0.002","90","","1575.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 I O4 Si -","- C12 H19 I O4 Si -","- C48 H76 I4 O16 Si4 -","4","1","","Shengming Ma; Lianghua Lu","An Efficient Stereoselective Synthesis of 4,5-trans-1,5-cis-3-Oxabicyclo[3.1.0]hexan-2-ones via the Iodolactonization of Alkylidenecyclopropyl Esters","Journal of Organic Chemistry","2005","70","","7629","7633","10.1021/jo050878e","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020472","9.1492","0.0004","10.8893","0.0004","13.6216","0.0006","69.105","0.003","79.378","0.003","71.933","0.003","1201.18","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C50 H64 N4 O12 -","2","1","","Albert Padwa; Scott K. Bur; Hongjun Zhang","Sequential Aminodiene Diels-Alder Approach to the Ergoline Skeleton","Journal of Organic Chemistry","2005","70","","6833","6841","10.1021/jo0508797","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020473","9.2284","0.0016","8.5326","0.0014","10.1189","0.0016","90","","116.292","0.004","90","","714.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Chad D. Hopkins; Lisa Guan; Helena C. Malinakova","Regiocontrolled, Palladium-Catylized Bisfuntionalization of Allenyl Esters. Multi-Component Coupling Approaches to Highly Substituted α,β-Unsaturated δ-Lactones","Journal of Organic Chemistry","2005","70","","6848","6862","10.1021/jo050886v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020474","10.1647","0.0003","10.1944","0.0003","67.375","0.002","90","","90","","90","","6981.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O8 -","- C23.3333 H28.3333 O8.83333 -","- C280 H340 O106 -","12","3","","Chaomin Li; John A. Porco, Jr.","Synthesis and NF-kB Inhibition of the Anti-Angiogenesis Agent(+) -Epoxyquinol A and Related Molecules","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020475","8.256","0.006","7.118","0.005","14.087","0.011","90","","96.259","0.019","90","","823","1","125","2","125","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020476","8.007","0.0016","10.307","0.002","41.274","0.008","90","","90","","90","","3406.4","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 Br2 O11 -","- C38 H26 Br2 O11 -","- C152 H104 Br8 O44 -","4","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020477","14.3118","0.0012","7.8572","0.0007","14.4216","0.0012","90","","114.959","0.002","90","","1470.3","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H33 Cl3 O8 Si -","- C27 H33 Cl3 O8 Si -","- C54 H66 Cl6 O16 Si2 -","2","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020478","10.216","0.002","11.299","0.002","19.715","0.004","90","","90","","90","","2275.7","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O7 -","- C27 H26 O7 -","- C108 H104 O28 -","4","1","","Chaomin Li; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020479","11.609","0.002","14.989","0.003","7.186","0.0014","90","","93.828","0.004","90","","1247.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 O2 P -","- C13 H19 O2 P -","- C52 H76 O8 P4 -","4","1","","Susana López-Cortina; Danute I. Basiulis; Kenneth L. Marsi; Miguel Angel Muñoz-Hernández; Mario Ordoñez; Mario Fernández-Zertuche","Synthesis of New 1,3-Oxaphosphorinanium Salts. Stereochemistry of Hydroxide-Induced Displacement of Methoxide Ion","Journal of Organic Chemistry","2005","70","","7473","7478","10.1021/jo050901w","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020480","14.698","0.002","11.72","0.001","7.3105","0.0007","90","","97.916","0.009","90","","1247.3","0.2","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O5 -","- C14 H12 O5 -","- C56 H48 O20 -","4","1","","Mingjin Fan; Zeyi Yan; Weimin Liu; Yongmin Liang","DABCO-Catalyzed Reaction of α-Halo Carbonyl Compounds with Dimethyl Acetylenedicarboxylate: A Novel Method for the Preparation of Polysubstituted Furans and Highly Functionalized 2H-Pyrans","Journal of Organic Chemistry","2005","70","","8204","8207","10.1021/jo050903g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178382","2020-10-21","18:00:00",""
"4020481","7.468","0.002","19.811","0.005","14.249","0.004","90","","96.801","0.004","90","","2093.2","1","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O6 -","- C24 H22 O6 -","- C96 H88 O24 -","4","1","","Mingjin Fan; Zeyi Yan; Weimin Liu; Yongmin Liang","DABCO-Catalyzed Reaction of α-Halo Carbonyl Compounds with Dimethyl Acetylenedicarboxylate: A Novel Method for the Preparation of Polysubstituted Furans and Highly Functionalized 2H-Pyrans","Journal of Organic Chemistry","2005","70","","8204","8207","10.1021/jo050903g","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020482","5.7312","0.0003","8.9039","0.0005","37.933","0.002","90","","90","","90","","1935.74","0.19","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020483","10.0747","0.0012","14.7392","0.0018","10.136","0.0012","90","","97.14","0.003","90","","1493.5","0.3","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020484","13.7371","0.0007","8.9665","0.0005","32.7695","0.0017","90","","99.261","0.001","90","","3983.7","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18.5 Cl2 N3.5 Zn -","- C19 H18.5 Cl2 N3.5 Zn -","- C152 H148 Cl16 N28 Zn8 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020485","8.9367","0.0007","5.8108","0.0004","19.5331","0.0015","90","","92.8","0.002","90","","1013.13","0.13","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H23 N -","- C27 H23 N -","- C54 H46 N2 -","2","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020486","12.8987","0.0009","15.5092","0.001","13.2871","0.0009","90","","115.029","0.003","90","","2408.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 N2 O5 S -","- C27 H26 N2 O5 S -","- C108 H104 N8 O20 S4 -","4","2","","Cody Timmons; Li Guo; Junying Liu; John F. Cannon; Guigen Li","Asymmetric Halo-Mannich-Type Reaction Provides Access to Pyrrolidines and -Proline Derivatives","Journal of Organic Chemistry","2005","70","","7634","7639","10.1021/jo0509051","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020487","17.118","0.003","12.253","0.003","10.721","0.002","90","","105.56","0.03","90","","2166.4","0.7","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Robin A. Weatherhead-Kloster; Hugh D. Selby; Walter B. Miller III; Eugene A. Mash","Organic Crystal Engineering with 1,4-Piperazine-2,5-diones. 6. Studies of the Hydrogen-Bond Association of Cyclo[(2-methylamino-4,7-dimethoxyindan-2-carboxylic acid) (2-amino-4,7-dimethoxyindan-2-carboxylic acid)]","Journal of Organic Chemistry","2005","70","","8693","8702","10.1021/jo0509096","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020488","9.5534","0.0016","12.199","0.002","19.099","0.003","90","","91.436","0.004","90","","2225.2","0.6","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Robin A. Weatherhead-Kloster; Hugh D. Selby; Walter B. Miller III; Eugene A. Mash","Organic Crystal Engineering with 1,4-Piperazine-2,5-diones. 6. Studies of the Hydrogen-Bond Association of Cyclo[(2-methylamino-4,7-dimethoxyindan-2-carboxylic acid) (2-amino-4,7-dimethoxyindan-2-carboxylic acid)]","Journal of Organic Chemistry","2005","70","","8693","8702","10.1021/jo0509096","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020489","20.49","0.01","21.137","0.006","11.439","0.003","90","","90","","90","","4953","3","298.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H27 O P -","- C30 H27 O P -","- C240 H216 O8 P8 -","8","1","","Kimihiro Komeyama; Tomonori Kawabata; Katsuomi Takehira; Ken Takaki","Rare-Earth Silylamide-Catalyzed Selective Dimerization of Terminal Alkynes and Subsequent Hydrophosphination in One Pot","Journal of Organic Chemistry","2005","70","","7260","7266","10.1021/jo0509206","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020490","9.6976","0.0019","10.401","0.002","14.886","0.003","74.6","0.03","85.88","0.03","80.69","0.03","1427.8","0.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C60 H92 O14 -","2","2","","Tony K. M. Shing; Gulice Y. C. Leung; To Luk","Arabinose-Derived Ketones as Catalysts for Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","7279","7289","10.1021/jo050928f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020491","9.5506","0.0019","13.846","0.003","20.022","0.004","90","","90","","90","","2647.6","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O7 -","- C30 H32 O7 -","- C120 H128 O28 -","4","1","","Tony K. M. Shing; Gulice Y. C. Leung; To Luk","Arabinose-Derived Ketones as Catalysts for Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","7279","7289","10.1021/jo050928f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020492","18.322","0.012","8.456","0.005","16.45","0.01","90","","114.74","0.02","90","","2314.7","2.5","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","diaF4-(15R,17S)","","","- C28 H36 N2 -","- C28 H36 N2 -","- C112 H144 N8 -","4","1","","Karine Jakubowicz; Yung-Sing Wong; Angèle Chiaroni; Michel Bénéchie; Christian Marazano","New Polycyclic Diamine Scaffolds from Dimerization of 3-Alkyl-1,4-dihydropyridines in Acidic Medium","Journal of Organic Chemistry","2005","70","","7780","7783","10.1021/jo050937o","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020493","12.066","0.006","16.939","0.008","12.505","0.006","90","","115.22","0.02","90","","2312.2","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","diaF3-(15R,17R)","","","- C28 H36 N2 -","- C28 H36 N2 -","- C112 H144 N8 -","4","1","","Karine Jakubowicz; Yung-Sing Wong; Angèle Chiaroni; Michel Bénéchie; Christian Marazano","New Polycyclic Diamine Scaffolds from Dimerization of 3-Alkyl-1,4-dihydropyridines in Acidic Medium","Journal of Organic Chemistry","2005","70","","7780","7783","10.1021/jo050937o","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020494","9.3064","0.0002","31.7893","0.0006","16.7359","0.0004","90","","96.432","0.001","90","","4920.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 N10 O8 -","- C46 H62 N10 O8 -","- C184 H248 N40 O32 -","4","1","","Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel","","Journal of Organic Chemistry","2005","70","","6499","6502","10.1021/jo050938g","","","","","","","","","","","","","","","","","","","","","has coordinates","178382","2020-10-21","18:00:00",""
"4020495","9.31","0.0006","13.8731","0.0003","17.3108","0.0012","106.925","0.003","101.196","0.003","96.105","0.003","2066.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H52 N8 O8 -","- C41 H52 N8 O8 -","- C82 H104 N16 O16 -","2","1","","Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel","","Journal of Organic Chemistry","2005","70","","6499","6502","10.1021/jo050938g","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020496","12.7343","0.0001","23.3747","0.0003","19.9727","0.0003","90","","94.989","0.001","90","","5922.56","0.13","120","1","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 N12 O12 -","- C54 H84 N12 O12 -","- C216 H336 N48 O48 -","4","1","","Arnaud Salaün; Michel Potel; Thierry Roisnel; Philippe Gall; Philippe Le Grel","","Journal of Organic Chemistry","2005","70","","6499","6502","10.1021/jo050938g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020497","11.0669","0.0017","13.257","0.002","22.029","0.003","90","","90","","90","","3232.1","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 N2 O3 -","- C38 H44 N2 O3 -","- C152 H176 N8 O12 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020498","5.6118","0.0019","16.53","0.006","9.846","0.003","90","","98.642","0.006","90","","903","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020499","13.18","0.03","16.3","0.04","8.618","0.019","90","","90","","90","","1852","7","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020500","23.604","0.004","23.604","0.004","13.515","0.003","90","","90","","90","","7530","2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C10 H15 Cl O -","- C10 H15 Cl O -","- C320 H480 Cl32 O32 -","32","2","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020501","32.987","0.007","6.8136","0.0013","22.424","0.005","90","","111.084","0.016","90","","4702.6","1.7","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 O4 S -","- C11 H18 O4 S -","- C176 H288 O64 S16 -","16","2","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020502","12.1189","0.0013","14.4813","0.0015","15.04","0.0016","80.519","0.009","78.775","0.009","67.896","0.008","2386.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 O4 S -","- C11 H18 O4 S -","- C88 H144 O32 S8 -","8","4","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020503","8.355","0.002","11.4931","0.0012","10.8936","0.0013","90","","90.204","0.015","90","","1046.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020504","24.277","0.005","10.13","0.002","9.365","0.002","90","","105.93","0.03","90","","2214.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 O3 S -","- C11 H18 O3 S -","- C88 H144 O24 S8 -","8","1","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020505","24.44","0.005","9.935","0.002","9.545","0.002","90","","107.67","0.03","90","","2208.3","0.9","283","2","283","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","jr08","","","- C11 H18 O3 S -","- C11 H18 O3 S -","- C88 H144 O24 S8 -","8","1","","María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash","Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate","Journal of Organic Chemistry","2005","70","","7919","7924","10.1021/jo0509511","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020506","13.2845","0.0006","7.8086","0.0004","15.4619","0.0007","90","","101.82","0.001","90","","1569.9","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N O5 -","- C15 H17 Cl2 N O5 -","- C60 H68 Cl8 N4 O20 -","4","1","","Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6474","6483","10.1021/jo050956y","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020507","7.2933","0.001","8.2345","0.0012","24.418","0.003","90","","90","","90","","1466.4","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C64 H60 N12 O20 -","4","1","","Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6474","6483","10.1021/jo050956y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020508","9.4064","0.0008","11.4106","0.0008","12.0893","0.001","90","","97.524","0.007","90","","1286.4","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N O3 S -","- C14 H18 N O3 S -","- C56 H72 N4 O12 S4 -","4","1","","William J. Layman, Jr.; Thomas D. Greenwood; Aaron L. Downey; James F. Wolfe","Synthesis of 2H-1,2-Benzothiazine 1,1-Dioxides via Heteroannulation Reactions of 2-Iodobenzenesulfonamide with Ketone Enolates under S~RN1~ Conditions","Journal of Organic Chemistry","2005","70","","9147","9155","10.1021/jo050964e","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020509","17.464","0.0011","12.6256","0.0008","22.5394","0.0014","90","","90","","90","","4969.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cl I O -","- C30 H22 Cl I O -","- C240 H176 Cl8 I8 O8 -","8","1","","Yuanhong Liu; Feijie Song; Liqing Cong","A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans","Journal of Organic Chemistry","2005","70","","6999","7002","10.1021/jo050966z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020510","14.7037","0.0016","16.0224","0.0018","20.793","0.002","90","","91.795","0.002","90","","4896.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl I O -","- C28 H26 Cl I O -","- C224 H208 Cl8 I8 O8 -","8","2","","Yuanhong Liu; Feijie Song; Liqing Cong","A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans","Journal of Organic Chemistry","2005","70","","6999","7002","10.1021/jo050966z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020511","9.1952","0.0011","6.1777","0.0008","15.0039","0.0018","90","","93.846","0.002","90","","850.38","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C34 H44 O12 -","2","1","","C. V. Ramana; Burgula Srinivas; Vedavati G. Puranik; Mukund K. Gurjar","A Carbohydrate-Based Approach for the Total Synthesis of 1,3-Polyol/α-Pyrone Antifungal Natural Products","Journal of Organic Chemistry","2005","70","","8216","8219","10.1021/jo050972v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020512","10.1483","0.0002","10.726","0.0002","12.8232","0.0003","87.0184","0.0007","68.2598","0.0008","74.9384","0.0008","1250.5","","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H39 N O7 Si -","- C21 H39 N O7 Si -","- C42 H78 N2 O14 Si2 -","2","1","","Timothy J. Donohoe; Herman O. Sintim; Jackie Hollinshead","A Noncarbohydrate Based Approach to Polyhydroxylated Pyrrolidizines: Total Syntheses of the Natural Products Hyacinthacine A~1~ and 1-Epiaustraline","Journal of Organic Chemistry","2005","70","","7297","7304","10.1021/jo050977s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020513","7.9433","0.0004","11.9029","0.0006","14.884","0.0009","72.988","0.002","85.3368","0.0019","80.459","0.004","1326.3","","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 N O6 Si -","- C22 H41 N O6 Si -","- C44 H82 N2 O12 Si2 -","2","1","","Timothy J. Donohoe; Herman O. Sintim; Jackie Hollinshead","A Noncarbohydrate Based Approach to Polyhydroxylated Pyrrolidizines: Total Syntheses of the Natural Products Hyacinthacine A~1~ and 1-Epiaustraline","Journal of Organic Chemistry","2005","70","","7297","7304","10.1021/jo050977s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020514","9.164","0.002","13.079","0.004","34.4","0.009","90","","90","","90","","4122.8","1.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H28 O Si -","- C22 H28 O Si -","- C176 H224 O8 Si8 -","8","2","","Asunción Barbero; Yolanda Blanco; Francisco J. Pulido","Silylcuprates from Allene and Their Reaction with α,β-Unsaturated Nitriles and Imines. Synthesis of Silylated Oxo Compounds Leading to Cyclopentane and Cycloheptane Ring Formation","Journal of Organic Chemistry","2005","70","","6876","6883","10.1021/jo0509814","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020515","40.563","0.007","6.287","0.001","18.84","0.003","90","","93.912","0.005","90","","4793","1","100.4","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Cl N O2 -","- C24 H40 Cl N O2 -","- C192 H320 Cl8 N8 O16 -","8","1","","Caroline Roche; Katarína Kadlečíková; Amaël Veyron; Philippe Delair; Christian Philouze; Andrew E. Greene; David Flot; Manfred Burghammer","New Asymmetric Approach to Natural Pyrrolizidines: Synthesis of (+)-Amphorogynine A, (+)-Amphorogynine D, and (+)-Retronecine","Journal of Organic Chemistry","2005","70","","8352","8363","10.1021/jo050983o","","","","","","","","","","","","","","","","","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4020516","27.38","0.05","8.847","0.012","22.82","0.04","90","","102.98","0.03","90","","5386.9","1.3","293.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H28 O2 -","- C35 H27 O2 -","- C280 H216 O16 -","8","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020517","11.85","0.001","17.988","0.002","12.921","0.002","90","","113.523","0.003","90","","2525.3","0.5","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 O2 -","- C35 H28 O2 -","- C140 H112 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020518","11.467","0.0005","14.7091","0.0007","15.4076","0.0007","90","","91.6973","0.0008","90","","2597.7","0.2","223.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 O2 -","- C35 H28 O2 -","- C140 H112 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020519","9.0873","0.0003","35.735","0.001","9.6538","0.0003","90","","105.671","0.001","90","","3018.4","0.2","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 O2 -","- C41 H34 O2 -","- C164 H136 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020520","9.7136","0.0007","12.0508","0.0002","12.8856","0.0002","107.365","0.002","104.062","0.002","97.428","0.002","1362.9","0.1","223.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H30 O -","- C37 H30 O -","- C74 H60 O2 -","2","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020521","12.74","0.004","13.449","0.01","14.248","0.004","90","","115.2","0.02","90","","2209.02","","288.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020522","15.503","0.005","8.505","0.002","16.954","0.003","90","","100.37","0.02","90","","2198.97","","288.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020523","8.6162","0.001","22.137","0.003","12.4884","0.0014","90","","93.563","0.002","90","","2377.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22.5 H12.5 O S5.5 -","- C21.5 H12.5 O S5.5 -","- C86 H50 O4 S22 -","4","1","","Yu-Long Zhao; Qun Liu; Jing-Ping Zhang; Zhi-Qiang Liu","Heteroatom-Substituted Expanded Radialenes: One-Pot Synthesis and Characterization of Expanded 1,3-Dithiolane[n]radialenes","Journal of Organic Chemistry","2005","70","","6913","6917","10.1021/jo050993p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020524","6.58","0.005","19.219","0.015","12.656","0.01","90","","98.154","0.012","90","","1584","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 S -","- C17 H20 O4 S -","- C68 H80 O16 S4 -","4","1","","Yu-Rong Yang; Wei-Dong Z. Li","A Short Synthesis of 10-Hydroxy 7-Spirocyclopropanated Camphor","Journal of Organic Chemistry","2005","70","","8224","8227","10.1021/jo0509962","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020525","9.499","0.002","10.891","0.002","11.067","0.002","109.873","0.006","112.697","0.007","100.841","0.012","923.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 Cl2 O6 -","- C20 H14 Cl2 O6 -","- C40 H28 Cl4 O12 -","2","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020526","9.38","0.002","9.968","0.002","11.335","0.003","87.201","0.008","81.854","0.009","80.257","0.007","1033.7","0.4","105","","105","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 Cl2 O4 -","- C23 H22 Cl2 O4 -","- C46 H44 Cl4 O8 -","2","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020527","10.061","0.002","13.094","0.002","15.974","0.003","90","","96.235","0.009","90","","2091.9","0.7","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl2 O5 -","- C23 H22 Cl2 O5 -","- C92 H88 Cl8 O20 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020528","10.553","0.004","14.93","0.006","8.221","0.003","90","","96.27","0.02","90","","1287.5","0.9","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl O3 -","- C15 H13 Cl O3 -","- C60 H52 Cl4 O12 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020529","7.722","0.004","7.949","0.003","7.405","0.003","90","","91.783","0.017","90","","454.3","0.3","105","","105","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H8 Br Cl O2 -","- C8 H8 Br Cl O2 -","- C16 H16 Br2 Cl2 O4 -","2","0.5","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020530","8.4475","0.001","11.312","0.002","21.111","0.004","93.876","0.006","98.152","0.006","107.681","0.006","1889.5","0.5","105","","105","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O5 -","- C23 H24 O5 -","- C92 H96 O20 -","4","2","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020531","9.871","0.002","13.157","0.003","19.747","0.006","82.266","0.012","77.781","0.013","71.274","0.015","2367.7","1","110","","110","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H28 O5 -","- C29 H28 O5 -","- C116 H112 O20 -","4","2","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020532","8.314","0.002","18.175","0.005","14.129","0.004","90","","91.634","0.011","90","","2134.1","1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O7 -","- C23 H23 N O7 -","- C92 H92 N4 O28 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020533","24.683","0.003","6.5797","0.001","18.174","0.002","90","","109.077","0.008","90","","2789.5","0.6","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B O4 -","- C14 H19 B O4 -","- C112 H152 B8 O32 -","8","2","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020534","11.72","0.004","10.93","0.004","19.726","0.01","90","","90.018","0.013","90","","2526.9","1.8","105","","105","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 O6 -","- C31 H32 O6 -","- C124 H128 O24 -","4","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020535","6.992","0.002","7.916","0.002","7.998","0.002","94.751","0.01","94.535","0.01","96.537","0.014","436.5","0.2","105","","105","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 B O4 -","- C8 H11 B O4 -","- C16 H22 B2 O8 -","2","1","","Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin","A Convenient Preparation of Xanthene Dyes","Journal of Organic Chemistry","2005","70","","6907","6912","10.1021/jo051002a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020536","19.7076","0.0011","14.2272","0.0008","23.536","0.0013","90","","90","","90","","6599.1","0.6","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C56 H68 I4 O24 -","- C56 H68 I4 O24 -","- C224 H272 I16 O96 -","4","1","","Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski","Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure","Journal of Organic Chemistry","2005","70","","6484","6491","10.1021/jo051010r","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020537","8.0018","0.0003","8.7268","0.0004","11.845","0.0005","91.4834","0.0007","107.912","0.0007","114.697","0.0007","703.56","0.05","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 I O7 -","- C12 H13 I O7 -","- C24 H26 I2 O14 -","2","1","","Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski","Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure","Journal of Organic Chemistry","2005","70","","6484","6491","10.1021/jo051010r","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020538","7.11","0.004","10.412","0.008","9.457","0.006","90","","110.29","0.05","90","","656.6","0.7","140","1","140","1","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 11","","","- C11 H15 N O4 S -","- C11 H14 N O4 S -","- C22 H28 N2 O8 S2 -","2","1","","Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field","Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II","Journal of Organic Chemistry","2005","70","","8556","8559","10.1021/jo051012b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020539","13.754","0.004","8.069","0.002","8.041","0.0019","90","","99.81","0.02","90","","879.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound 14","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C36 H42 N2 O8 S2 -","2","1","","Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field","Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II","Journal of Organic Chemistry","2005","70","","8556","8559","10.1021/jo051012b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020540","11.567","0.001","13.101","0.001","13.604","0.002","90","","90","","90","","2061.6","0.4","273.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F3 N O2 -","- C23 H26 F3 N O2 -","- C92 H104 F12 N4 O8 -","4","1","","Hillary M. Peltier; Jonathan A. Ellman","N-Sulfinyl Metalloenamine Conjugate Additions: Asymmetric Synthesis of Piperidines","Journal of Organic Chemistry","2005","70","","7342","7345","10.1021/jo051020s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020541","9.365","0.0002","10.6994","0.0002","13.7621","0.0002","90","","90","","90","","1378.96","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-2-anisyl(t-butyl)methylphosphpine-borane","","","- C12 H22 B O P -","- C12 H22 B O P -","- C48 H88 B4 O4 P4 -","4","1","","Yukitoshi Takahashi; Yoshikazu Yamamoto; Kosuke Katagiri; Hiroshi Danjo; Kentaro Yamaguchi; Tsuneo Imamoto","P-Chiral o-Phosphinophenol as a P/O Hybrid Ligand: Preparation and Use in Cu-Catalyzed Asymmetric Conjugate Addition of Diethylzinc to Acyclic Enones","Journal of Organic Chemistry","2005","70","","9009","9012","10.1021/jo051034y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020542","5.9478","0.0012","8.3754","0.0017","17.855","0.004","90","","97.62","0.03","90","","881.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H28 O2 S -","- C19 H28 O2 S -","- C38 H56 O4 S2 -","2","1","","Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk","Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid","Journal of Organic Chemistry","2005","70","","7985","7995","10.1021/jo051062g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020543","7.68","","25.48","","42.46","","90","","90","","90","","8308.8","","293","2","293","2","","","","","","","","5","C 2 c b","C -2ac 2","41","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C352 H368 N16 O96 S16 -","16","","","Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk","Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid","Journal of Organic Chemistry","2005","70","","7985","7995","10.1021/jo051062g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020544","11.565","0.002","19.428","0.004","22.298","0.005","90","","90","","90","","5010.2","1.7","293","2","293","2","","","","","","","","5","P b 21 a","P -2a -2ab","29","","","","- C25 H32 O4 S Si -","- C25 H32 O4 S Si -","- C200 H256 O32 S8 Si8 -","8","2","","Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk","Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid","Journal of Organic Chemistry","2005","70","","7985","7995","10.1021/jo051062g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020545","7.501","0.009","18.09","0.02","14.922","0.016","90","","101.72","0.01","90","","1983","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Br2 O2 -","- C20 H28 Br2 O2 -","- C80 H112 Br8 O8 -","4","1","","Sujaya Sengupta; Michael G. B. Drew; Ranjan Mukhopadhyay; Basudeb Achari; Asish Kr. Banerjee","Stereoselective Syntheses of (±)-Komaroviquinone and (±)-Faveline Methyl Ether through Intramolecular Heck Reaction","Journal of Organic Chemistry","2005","70","","7694","7700","10.1021/jo051082i","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020546","14.229","0.017","10.299","0.012","22.84","0.02","90","","103.564","0.01","90.01","","3253","6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C144 H192 O24 -","8","2","","Sujaya Sengupta; Michael G. B. Drew; Ranjan Mukhopadhyay; Basudeb Achari; Asish Kr. Banerjee","Stereoselective Syntheses of (±)-Komaroviquinone and (±)-Faveline Methyl Ether through Intramolecular Heck Reaction","Journal of Organic Chemistry","2005","70","","7694","7700","10.1021/jo051082i","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020547","7.339","0.002","8.269","0.003","21.022","0.005","90","","90","","90","","1275.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020548","5.018","0.0004","18.2276","0.0017","20.8563","0.0019","90","","90","","90","","1907.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020549","29.185","0.019","5.098","0.004","12.366","0.009","90","","90.209","0.016","90","","1840","2","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020550","11.8865","0.0012","11.8865","0.0012","26.52","0.005","90","","90","","120","","3245","0.8","193","2","193","2","","","","","","","","4","P 65","P 65","170","","","","- C19 H32 N2 O5 -","- C19 H32 N2 O5 -","- C114 H192 N12 O30 -","6","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020551","5.137","0.008","9.703","0.003","22.133","0.008","90","","90.55","0.07","90","","1103.2","1.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C44 H60 N4 O10 -","2","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020552","5.198","0.004","16.182","0.01","21.494","0.013","90","","90","","90","","1808","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N O8 -","- C15 H25 N O8 -","- C60 H100 N4 O32 -","4","1","","Juhienah K. Khalaf; Apurba Datta","Stereoselective Route to the Ezoaminuroic Acid Core of the Ezomycins","Journal of Organic Chemistry","2005","70","","6937","6940","10.1021/jo051086n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020553","6.8961","0.0004","14.1021","0.0008","20.3417","0.0014","90","","90","","90","","1978.2","0.2","203","2","203","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C72 H96 N16 O32 -","8","1","","Stefan Spange; Katja Hofmann; Bernhard Walfort; Tobias Rüffer; Heinrich Lang","Chiral 1,2- and 1,3-Diol-Functionalized Chromophores as Lego Building Blocks for Coupled Structures","Journal of Organic Chemistry","2005","70","","8564","8567","10.1021/jo051097g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020554","16.1527","0.0008","10.0182","0.0005","13.8856","0.0007","90","","103.591","0.001","90","","2184.06","0.19","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F12 N5 P2 S2 -","- C12 H17 F12 N5 P2 S2 -","- C48 H68 F48 N20 P8 S8 -","4","1","","Rosalice M. Silva; Mark D. Smith; James R. Gardinier","Unexpected New Chemistry of the Bis(thioimidazolyl)methanes","Journal of Organic Chemistry","2005","70","","8755","8763","10.1021/jo051101o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178383","2020-10-21","18:00:00",""
"4020555","13.5218","0.001","36.256","0.003","4.4236","0.0003","90","","90","","90","","2168.6","0.3","150","1","150","1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H12 N4 S2 -","- C9 H12 N4 S2 -","- C72 H96 N32 S16 -","8","0.5","","Rosalice M. Silva; Mark D. Smith; James R. Gardinier","Unexpected New Chemistry of the Bis(thioimidazolyl)methanes","Journal of Organic Chemistry","2005","70","","8755","8763","10.1021/jo051101o","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020556","11.091","0.007","8.924","0.005","19.781","0.012","90","","101.359","0.011","90","","1919.4","1.9","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller","Ene-diamine versus Imine-amine Isomeric Preferences","Journal of Organic Chemistry","2005","70","","8409","8416","10.1021/jo051102g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020557","16.5867","0.0017","44.319","0.006","5.7826","0.0006","90","","90","","90","","4250.8","0.8","110","2","110","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C224 H208 N16 -","8","0.5","","B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller","Ene-diamine versus Imine-amine Isomeric Preferences","Journal of Organic Chemistry","2005","70","","8409","8416","10.1021/jo051102g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020558","9.708","0.002","15.97","0.004","11.254","0.003","90","","115.496","0.003","90","","1574.9","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","B. Jesse E. Reich; Erin E. Greenwald; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Simon W. North; Stephen A. Miller","Ene-diamine versus Imine-amine Isomeric Preferences","Journal of Organic Chemistry","2005","70","","8409","8416","10.1021/jo051102g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020559","8.3751","0.0008","17.175","0.002","10.4335","0.0011","90","","116.652","0.004","90","","1341.3","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 N3 O4 -","- C33 H31 N3 O4 -","- C66 H62 N6 O8 -","2","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020560","11.737","0.001","13.948","0.001","34.381","0.003","90","","90","","90","","5628.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H63 N6 O8.5 -","- C66 H62 N6 O8.5 -","- C264 H248 N24 O34 -","4","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020561","10.275","0.0006","16.361","0.001","17.474","0.001","90","","90","","90","","2937.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 N3 O4 -","- C36 H35 N3 O4 -","- C144 H140 N12 O16 -","4","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020562","16.4847","0.0017","9.8989","0.001","17.918","0.0018","90","","104.615","0.002","90","","2829.3","0.5","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020563","14.9761","0.0003","19.5973","0.0004","9.6556","0.0002","90","","92.512","0.001","90","","2831.11","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C120 H104 Cl8 N16 O8 -","8","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020564","19.956","0.003","19.956","0.003","6.9569","0.001","90","","90","","90","","2770.6","0.7","203","2","203","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","1","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020565","5.6345","0.0004","8.6257","0.0006","14.7361","0.0009","96.644","0.002","91.487","0.002","93.364","0.001","709.77","0.08","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020566","10.463","0.0002","10.5394","0.0002","12.3151","0.0002","77.202","0.001","84.676","0.001","89.33","0.001","1318.53","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020567","19.1888","0.0003","10.3555","0.0002","13.0681","0.0001","90","","90","","90","","2596.76","0.07","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","2","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020568","5.519","0.0008","19.713","0.004","16.914","0.002","90","","98.725","0.007","90","","1818.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Monika Mazik; Dieter Bläser; Roland Boese","α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses","Journal of Organic Chemistry","2005","70","","9115","9122","10.1021/jo051115u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020569","10.014","0.008","8.875","0.007","12.341","0.009","90","","90.569","0.013","90","","1096.8","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","jrc1281m","","","- C24 H22 F N O5 -","- C24 H22 F N O5 -","- C48 H44 F2 N2 O10 -","2","1","","Lushi Tan; Nobuyoshi Yasuda; Naoki Yoshikawa; Frederick W. Hartner; Kan Kaung Eng; William R. Leonard; Fuh-Rong Tsay; Ralph P. Volante; Richard D. Tillyer","Stereoselective Syntheses of Highly Functionalized Bicyclo[3.1.0]hexanes: A General Methodology for the Synthesis of Potent and Selective mGluR2/3 Agonists","Journal of Organic Chemistry","2005","70","","8027","8034","10.1021/jo0511187","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020570","9.873","0.002","13.001","0.003","15.53","0.003","73.36","0.03","72.13","0.03","85.9","0.03","1817.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H30 Ag N3 O2 -","- C49.5 H30 Ag N3 O1.5 -","- C99 H60 Ag2 N6 O3 -","2","1","","Miłosz Pawlicki; Lechosław Latos-Grżyński","O-Confused Oxaporphyrin-An Intermediate in Formation of 3-Substituted 2-Oxa-21-Carbaporphyrins","Journal of Organic Chemistry","2005","70","","9123","9130","10.1021/jo051141s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020571","13.948","0.005","11.955","0.005","14.073","0.006","90","","95.826","0.009","90","","2334.5","1.6","295","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H33 N O6 S -","- C22 H33 N O6 S -","- C88 H132 N4 O24 S4 -","4","2","","Indrajit Das; Tanmaya Pathak; Cheravakkattu G. Suresh","A Diastereoselective and General Route to 5-Amino-5-deoxysugars: Influence of C-3 Substitution on the Addition of Amines to C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates","Journal of Organic Chemistry","2005","70","","8047","8054","10.1021/jo051143c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020572","5.2721","0.0013","12.916","0.003","23.515","0.006","90","","90","","90","","1601.3","0.7","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Compound 14a","","","- C18 H14 Br Cl F N O -","- C18 H14 Br Cl F N O -","- C72 H56 Br4 Cl4 F4 N4 O4 -","4","1","","Michael C. Hillier; Jean-François Marcoux; Dalian Zhao; Edward J. J. Grabowski; Arlene E. McKeown; Richard D. Tillyer","Stereoselective Formation of Carbon-Carbon Bonds via S~N2~-Displacement: Synthesis of Substituted Cycloalkyl[b]indoles","Journal of Organic Chemistry","2005","70","","8385","8394","10.1021/jo051146p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020573","9.932","0.002","12.608","0.004","8.663","0.002","90","","90","","90","","1084.8","0.5","110","","110","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C40 H52 N4 O12 S4 -","4","1","","Ron W. Darbeau; Noe T. Alvarez; Gregory A. Trahan; Frank R. Fronczek","Investigating the Reaction of N-Carbobenzoxy-O-carbobenzoxy- hydroxylamine with Dimethyl Sulfoxide: Formation of S,S-Dimethyl-N-[(phenylmethoxy)- carbonyl]sulfoximine.","Journal of Organic Chemistry","2005","70","","9599","9602","10.1021/jo051158a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020574","5.9101","0.0004","14.4928","0.0014","17.659","0.002","90","","90","","90","","1512.6","0.2","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020575","6.037","0.002","7.533","0.002","30.403","0.005","90","","90","","90","","1382.6","0.6","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020576","7.9659","0.0014","10.1397","0.0015","18.36","0.004","90","","90","","90","","1483","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020577","9.8995","0.0003","10.8708","0.0004","12.4037","0.0004","80.6686","0.0015","78.7828","0.0016","84.5341","0.0015","1289.2","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 N2 O6 P2 -","- C60 H58 N2 O6 P2 -","- C60 H58 N2 O6 P2 -","1","0.5","","Vanina V. Guidi; Zhou Jin; Devin Busse; William B. Euler; Brett L. Lucht","Bis(phosphine Imide)s: Easily Tunable Organic Electron Donors","Journal of Organic Chemistry","2005","70","","7737","7743","10.1021/jo051196u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020578","25.418","0.005","6.2412","0.0012","12.466","0.003","90","","90","","90","","1977.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C44 H44 O5 -","- C23 H19 O3 -","- C92 H76 O12 -","4","1","","Jarugu Narasimha Moorthy; Ramalingam Natarajan; Paloth Venugopalan","Three-Dimensional Four-Connecting Organic Scaffolds with a Twist: Synthesis and Self-Assembly","Journal of Organic Chemistry","2005","70","","8568","8571","10.1021/jo051205z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020579","13.5422","0.0014","28.132","0.003","31.458","0.003","90","","90","","90","","11985","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H42 O15 S5 -","- C56 H38 O15 S5 -","- C448 H304 O120 S40 -","8","1","","Jarugu Narasimha Moorthy; Ramalingam Natarajan; Paloth Venugopalan","Three-Dimensional Four-Connecting Organic Scaffolds with a Twist: Synthesis and Self-Assembly","Journal of Organic Chemistry","2005","70","","8568","8571","10.1021/jo051205z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020580","27.5495","0.0014","7.4365","0.0004","11.4908","0.0006","90","","95.919","0.001","90","","2341.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Br O3 -","- C28 H27 Br O3 -","- C112 H108 Br4 O12 -","4","1","","Peter Wipf; David L. Waller; Jonathan T. Reeves","Transition-Metal-Mediated Cascade Reactions: The Water-Accelerated Carboalumination-Claisen Rearrangement-Carbonyl Addition Reaction","Journal of Organic Chemistry","2005","70","","8096","8102","10.1021/jo051211v","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020581","18.052","0.003","5.7905","0.0009","10.1108","0.0017","90","","90","","90","","1056.9","0.3","93","2","93","2","","","","","","","","4","P n a 21","P 2c -2n","33","9d","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Alan R. Katritzky; Ashraf A. A. Abdel-Fattah; Anna V. Gromova; Rachel Witek; Peter J. Steel","α-Nitro Ketone Synthesis Using N-Acylbenzotriazoles","Journal of Organic Chemistry","2005","70","","9211","9214","10.1021/jo051231x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020582","12.763","0.002","3.8089","0.0007","12.881","0.002","90","","104.416","0.018","90","","606.48","0.19","100","1","100","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 Br2 N2 O2 -","- C12 H8 Br2 N2 O2 -","- C24 H16 Br4 N4 O4 -","2","0.5","","Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik","Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts","Journal of Organic Chemistry","2005","70","","8461","8467","10.1021/jo051236u","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020583","6.436","0.003","3.8375","0.0012","12.878","0.004","90","","104.65","0.03","90","","307.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H4 Br N O -","- C6 H4 Br N O -","- C12 H8 Br2 N2 O2 -","2","1","","Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik","Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts","Journal of Organic Chemistry","2005","70","","8461","8467","10.1021/jo051236u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020584","9.394","0.0007","11.7905","0.0009","15.6033","0.0013","89.384","0.002","73.265","0.001","89.838","0.001","1654.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Na dimer","","","- C28 H38 Na2 O16 S2 -","- C28 H38 Na2 O16 S2 -","- C56 H76 Na4 O32 S4 -","2","1","","Salvatore D. Lepore; Anjan K. Bhunia; Pamela Cohn","Arylsulfonate-Based Nucleophile Assisting Leaving Groups","Journal of Organic Chemistry","2005","70","","8117","8121","10.1021/jo051241y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020585","7.802","0.001","8.305","0.002","11.828","0.003","89.59","0.01","81.61","0.01","74.16","0.01","729","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Li N O2 -","- C14 H24 Li N O2 -","- C28 H48 Li2 N2 O4 -","2","1","","Gideon Fraenkel; Xiao Chen; Albert Chow; Judith C. Gallucci; Hua Liu","Internally Solvated Cyclopentadienyllithium Compounds: Structural Integrity of the Cp^-^Li^+^ Moiety. NMR, Dynamics, X-ray Crystallography, and Calculations","Journal of Organic Chemistry","2005","70","","9131","9138","10.1021/jo0512507","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020586","7.034","0.002","12.941","0.004","15.164","0.005","90","","98.235","0.005","90","","1366","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Takehiko Iida; Hiroki Satoh; Kenji Maeda; Yuhei Yamamoto; Ken-ichi Asakawa; Naotaka Sawada; Toshihiro Wada; Chie Kadowaki; Takahiro Itoh; Toshiaki Mase; Steven A. Weissman; Dave Tschaen; Shane Krska; R. P. Volante","Practical Synthesis of a Neuropeptide Y Antagonist via Stereoselective Addition to a Ketene","Journal of Organic Chemistry","2005","70","","9222","9229","10.1021/jo0512709","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020587","20.345","0.009","10.237","0.004","8.191","0.003","90","","107.27","0.02","90","","1629","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 O7 Te2 -","- C12 H24 O7 Te2 -","- C48 H96 O28 Te8 -","4","0.5","","Thomas G. Back; Dušan Kuzma; Masood Parvez","Aromatic Derivatives and Tellurium Analogues of Cyclic Seleninate Esters and Spirodioxyselenuranes That Act as Glutathione Peroxidase Mimetics","Journal of Organic Chemistry","2005","70","","9230","9236","10.1021/jo0512711","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020588","8.323","","25.216","","10.559","","90","","104.92","","90","","2141.3","","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H19 O7 S -","- C26 H19 O7 S -","- C104 H76 O28 S4 -","4","1","","Asit Patra; Pallab Pahari; Sutapa Ray; Dipakranjan Mal","A Brief and Convergent Synthetic Route to Defucogilvocarcin M Chromophore: The Formal Synthesis of WS-5995 A and C","Journal of Organic Chemistry","2005","70","","9017","9020","10.1021/jo0512960","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020589","7.8941","0.001","15.213","0.002","27.777","0.004","90","","90","","90","","3335.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 O5 Si -","- C34 H50 O5 Si -","- C136 H200 O20 Si4 -","4","1","","Santiago Díaz-Oltra; Juan Murga; Eva Falomir; Miguel Carda; Gabriel Peris; J. Alberto Marco","Double Diastereoselection in Aldol Reactions Mediated by Dicyclohexylchloroborane between Chiral Aldehydes and a Chiral Ethyl Ketone Derived from L-Erythrulose. Synthesis of a C1-C9 Fragment of the Structure of the Antifungal Metabolite Soraphen A~1α~","Journal of Organic Chemistry","2005","70","","8130","8139","10.1021/jo051307p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020590","15.0425","0.0009","18.9412","0.0011","23.4689","0.0014","90","","90.167","0.002","90","","6686.8","0.7","273","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H50 O5 Si -","- C2.47273 H3.63636 O0.363636 Si0.0727273 -","- C272 H400 O40 Si8 -","110","55","","Santiago Díaz-Oltra; Juan Murga; Eva Falomir; Miguel Carda; Gabriel Peris; J. Alberto Marco","Double Diastereoselection in Aldol Reactions Mediated by Dicyclohexylchloroborane between Chiral Aldehydes and a Chiral Ethyl Ketone Derived from L-Erythrulose. Synthesis of a C1-C9 Fragment of the Structure of the Antifungal Metabolite Soraphen A~1α~","Journal of Organic Chemistry","2005","70","","8130","8139","10.1021/jo051307p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020591","9.946","0.002","10.576","0.002","12.964","0.003","90","","107.33","0.03","90","","1301.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 Se2 -","- C14 H14 O2 Se2 -","- C56 H56 O8 Se8 -","4","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020592","6.4768","0.0006","15.168","0.002","13.6745","0.0014","90","","90","","90","","1343.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 O2 Se -","- C7 H6 O2 Se -","- C56 H48 O16 Se8 -","8","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020593","10.9213","0.0016","11.6525","0.0015","9.3047","0.0012","90","","93.432","0.016","90","","1182","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 O2 Se -","- C14 H12 O2 Se -","- C56 H48 O8 Se4 -","4","0.5","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020594","10.1688","0.0006","10.8693","0.0007","13.4716","0.0008","90","","104.885","0.001","90","","1439.02","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 Te2 -","- C14 H14 O2 Te2 -","- C56 H56 O8 Te8 -","4","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020595","24.144","0.002","8.0642","0.0007","8.0329","0.0007","90","","97.67","0.002","90","","1550","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 Te2 -","- C14 H12 Cl2 Te2 -","- C56 H48 Cl8 Te8 -","4","0.5","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020596","26.645","0.006","9.494","0.002","18.848","0.005","90","","135.036","0.003","90","","3369.2","1.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 O4 Te2 -","- C16 H18 O4 Te2 -","- C128 H144 O32 Te16 -","8","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020597","8.044","0.002","8.412","0.002","13.015","0.003","90","","92.62","0.03","90","","879.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C34 H42 N2 O10 S2 -","2","1","","José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín","The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes","Journal of Organic Chemistry","2005","70","","8825","8834","10.1021/jo0513111","","","","","","","0.0406","","","0.1142","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020598","10.2987","0.0015","10.2987","0.0015","28.821","0.006","90","","90","","120","","2647.4","0.8","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C102 H126 N6 O30 S6 -","6","1","","José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín","The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes","Journal of Organic Chemistry","2005","70","","8825","8834","10.1021/jo0513111","","","","","","","0.0528","","","0.1416","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020599","51.13","0.016","10.331","0.003","13.379","0.004","90","","92.66","0.005","90","","7059","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 N O5 Si -","- C39 H45 N O5 Si -","- C312 H360 N8 O40 Si8 -","8","1","","Louis Morency; Louis Barriault","Studies toward the Total Synthesis of Vinigrol. Synthesis of the Octalin Ring","Journal of Organic Chemistry","2005","70","","8841","8853","10.1021/jo051318i","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020600","8.3015","0.0018","11.127","0.003","15.551","0.003","90.438","0.004","104.188","0.004","104.02","0.004","1347.7","0.5","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O6 -","- C31 H38 O6 -","- C62 H76 O12 -","2","1","","Louis Morency; Louis Barriault","Studies toward the Total Synthesis of Vinigrol. Synthesis of the Octalin Ring","Journal of Organic Chemistry","2005","70","","8841","8853","10.1021/jo051318i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020601","8.5483","0.0011","11.9018","0.0015","20.47","0.003","90","","100.168","0.002","90","","2050","0.5","17","2","17","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O3 -","- C24 H22 N4 O3 -","- C96 H88 N16 O12 -","4","1","","Yat Fan Suen; Håkon Hope; Michael H. Nantz; Makhluf J. Haddadin; Mark J. Kurth","A Novel Route to Fully Substituted 1H-Pyrazoles","Journal of Organic Chemistry","2005","70","","8468","8471","10.1021/jo051319a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020602","7.687","0.007","7.876","0.002","16.673","0.003","90","0.02","90","0.04","90","0.04","1009.4","1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C42 H46 N2 O16 -","2","1","","Yanmei Dong; Rui Li; Jun Lu; Xuenong Xu; Xinyan Wang; Yuefei Hu","An Efficient Kinetic Resolution of Racemic Betti Base Based on an Enantioselective N,O-Deketalization","Journal of Organic Chemistry","2005","70","","8617","8620","10.1021/jo051328j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020603","10.0106","0.0014","10.4397","0.0016","11.6615","0.0015","68.051","0.011","67.541","0.01","70.203","0.011","1017","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C40 H36 N4 O16 -","4","2","","Liwen He; G. S. C. Srikanth; Steven L. Castle","Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions","Journal of Organic Chemistry","2005","70","","8140","8147","10.1021/jo051334f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020604","7.1832","0.0014","11.6551","0.0016","13.933","0.002","90","","100.988","0.016","90","","1145.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Liwen He; G. S. C. Srikanth; Steven L. Castle","Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions","Journal of Organic Chemistry","2005","70","","8140","8147","10.1021/jo051334f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020605","4.7423","0.0008","15.197","0.003","21.35","0.004","90","","94.01","0.006","90","","1534.9","0.5","273","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Liwen He; G. S. C. Srikanth; Steven L. Castle","Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions","Journal of Organic Chemistry","2005","70","","8140","8147","10.1021/jo051334f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020606","8.071","0.002","12.681","0.003","13.639","0.003","65.64","0.03","87.93","0.03","74.49","0.03","1221","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O7 -","- C26 H28 N2 O7 -","- C52 H56 N4 O14 -","2","1","","Samaresh Jana; Chandrani Guin; Subhas Chandra Roy","Radical Promoted Wagner-Meerwein-Type Rearrangement of Epoxides in Camphoric Systems Using a Ti(III) Radical Source","Journal of Organic Chemistry","2005","70","","8252","8254","10.1021/jo051338k","","","","","","","0.0914","","","0.2529","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020607","9.5136","0.0013","10.9065","0.0009","12.1105","0.0016","74.844","0.007","81.724","0.012","85.942","0.008","1199.5","0.3","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O9 -","- C25 H23 N3 O9 -","- C50 H46 N6 O18 -","2","1","","Zhiming Zhao; Eileen Duesler; Canhui Wang; Hua Guo; Patrick S. Mariano","Photocyclization Reactions of Cyclohexa- and Cyclopenta-Fused Pyridinium Salts. Factors Governing Regioselectivity","Journal of Organic Chemistry","2005","70","","8508","8512","10.1021/jo051348l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020608","7.633","0.0005","8.8059","0.0015","27.8722","0.0018","90","","90","","90","","1873.4","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O5 -","- C19 H20 Br N O5 -","- C76 H80 Br4 N4 O20 -","4","1","","Zhiming Zhao; Eileen Duesler; Canhui Wang; Hua Guo; Patrick S. Mariano","Photocyclization Reactions of Cyclohexa- and Cyclopenta-Fused Pyridinium Salts. Factors Governing Regioselectivity","Journal of Organic Chemistry","2005","70","","8508","8512","10.1021/jo051348l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020609","12.8627","0.0011","12.6794","0.001","14.6526","0.0012","90","","99.338","0.001","90","","2358","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","1","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020610","10.5574","0.0009","14.4038","0.0009","15.8173","0.0009","90","","90","","90","","2405.3","0.3","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","0.5","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020611","13.9305","0.0008","11.3566","0.0007","16.3281","0.0009","90","","108.007","0.001","90","","2456.6","0.2","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C120 H112 N16 O8 -","4","1","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020612","13.0277","0.0017","21.343","0.003","8.96","0.0011","90","","97.245","0.003","90","","2471.5","0.5","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C120 H112 N16 O8 -","4","1","","S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki","Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers","Journal of Organic Chemistry","2005","70","","9304","9313","10.1021/jo0513616","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020613","8.876","0.003","15.261","0.005","12.078","0.004","90","","98.481","0.005","90","","1618.2","1","113.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020614","11.106","0.002","10.496","0.001","18.526","0.003","90","","104.256","0.006","90","","2093.2","0.4","193.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O2 S -","- C24 H27 N O2 S -","- C96 H108 N4 O8 S4 -","4","1","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020615","17.946","0.009","9.44","0.004","20.057","0.01","90","","95.968","0.006","90","","3379","2","193.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O S -","- C18 H21 N O S -","- C144 H168 N8 O8 S8 -","8","2","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020616","6.246","0.005","11.712","0.009","12.776","0.009","93.91","0.01","94.64","0.01","93.54","0.009","927","1","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O S -","- C21 H25 N O S -","- C42 H50 N2 O2 S2 -","2","1","","Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara","N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols","Journal of Organic Chemistry","2005","70","","8148","8153","10.1021/jo051378o","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020617","29.217","0.003","54.471","0.005","6.1768","0.0006","90","","90","","90","","9830.2","1.6","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H29 N O3 Si -","- C28 H29 N O3 Si -","- C448 H464 N16 O48 Si16 -","16","1","","Christopher J. T. Hyland; Louis S. Hegedus","Boron-Mediated Stereoselective Syntheses of γ,γ-Disubstituted Allenamides","Journal of Organic Chemistry","2005","70","","8628","8630","10.1021/jo051385c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020618","9.9277","0.0011","11.5704","0.0012","13.2704","0.0014","79.483","0.002","87.858","0.002","72.576","0.002","1429.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cl2 N O3 Si -","- C29 H31 Cl2 N O3 Si -","- C58 H62 Cl4 N2 O6 Si2 -","2","1","","Christopher J. T. Hyland; Louis S. Hegedus","Boron-Mediated Stereoselective Syntheses of γ,γ-Disubstituted Allenamides","Journal of Organic Chemistry","2005","70","","8628","8630","10.1021/jo051385c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020619","12.379","0.001","12.63","0.001","29.244","0.004","88.09","0.003","86.149","0.004","89.771","0.005","4559.6","0.8","250","2","250","2","","","","","","","","3","P -1","-P 1","2","Paquette 1326a","","","- C24 H34 O5 -","- C24 H34 O5 -","- C192 H272 O40 -","8","4","","Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci","Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates","Journal of Organic Chemistry","2005","70","","8154","8161","10.1021/jo0513919","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020620","14.199","0.001","15.373","0.001","15.704","0.002","115.918","0.003","90.979","0.003","107.241","0.005","2901.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Paquette 1304","","","- C31 H39 N O7 -","- C31 H39 N O7 -","- C124 H156 N4 O28 -","4","2","","Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci","Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates","Journal of Organic Chemistry","2005","70","","8154","8161","10.1021/jo0513919","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020621","12.74","0.004","13.449","0.01","14.248","0.004","90","","115.2","0.02","90","","2209.02","","288.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Ken Kokubo; Takuya Koizumi; Kenji Harada; Eiko Mochizuki; Takumi Oshima","Site Selectivity Switch in Lewis Acid Catalysis. Mechanism and Kinetic Simulation of Skeletal Rearrangement of Cyclobutene-Fused Homoquinones","Journal of Organic Chemistry","2005","70","","7776","7779","10.1021/jo051399i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020622","15.503","0.005","8.505","0.002","16.954","0.003","90","","100.37","0.02","90","","2198.97","","288.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Ken Kokubo; Takuya Koizumi; Kenji Harada; Eiko Mochizuki; Takumi Oshima","Site Selectivity Switch in Lewis Acid Catalysis. Mechanism and Kinetic Simulation of Skeletal Rearrangement of Cyclobutene-Fused Homoquinones","Journal of Organic Chemistry","2005","70","","7776","7779","10.1021/jo051399i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020623","22.229","0.009","5.344","0.002","27.376","0.011","90","","111.999","0.007","90","","3015","2","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Naphth[1,2-a]azulene","","","- C22 H16 O -","- C22 H16 O -","- C176 H128 O8 -","8","1","","Kimiaki Yamamura; Shizuka Kawabata; Takatomo Kimura; Kazuo Eda; Masao Hashimoto","Novel Synthesis of Benzalacetone Analogues of Naphth[a]azulenes by Intramolecular Tropylium Ion-Mediated Furan Ring-Opening Reaction and X-ray Investigation of a Naphth[1,2-a]azulene Derivative","Journal of Organic Chemistry","2005","70","","8902","8906","10.1021/jo051409f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020624","5.699","0.004","11.841","0.007","16.163","0.011","72.666","0.013","89.879","0.012","88.608","0.015","1040.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H4 Cl2 N2 S2 -","- C8 H4 Cl2 N2 S2 -","- C32 H16 Cl8 N8 S8 -","4","2","","Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba","From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials","Journal of Organic Chemistry","2005","70","","9314","9325","10.1021/jo0514117","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020625","5.6712","0.0007","8.6976","0.0011","12.308","0.0015","96.964","0.002","90.165","0.003","90.255","0.003","602.61","0.13","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Cl3 N O2 S -","- C10 H6 Cl3 N O2 S -","- C20 H12 Cl6 N2 O4 S2 -","2","1","","Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba","From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials","Journal of Organic Chemistry","2005","70","","9314","9325","10.1021/jo0514117","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020626","13.913","0.006","8.713","0.004","26.063","0.012","90","","102.622","0.009","90","","3083","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl N3 O2 S2 -","- C14 H12 Cl N3 O2 S2 -","- C112 H96 Cl8 N24 O16 S16 -","8","1","","Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba","From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials","Journal of Organic Chemistry","2005","70","","9314","9325","10.1021/jo0514117","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020627","8.1728","0.0005","17.7129","0.0009","11.0657","0.0006","90","","101.171","0.005","90","","1571.56","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Fast and Stable Photochromic Oxazines","Journal of Organic Chemistry","2005","70","","8180","8189","10.1021/jo051417w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020628","37.174","0.002","9.267","0.0007","22.8271","0.0017","90","","103.27","0.006","90","","7653.9","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H61 N3 O6 -","- C39 H61 N3 O6 -","- C312 H488 N24 O48 -","8","1","","Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo","Fast and Stable Photochromic Oxazines","Journal of Organic Chemistry","2005","70","","8180","8189","10.1021/jo051417w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020629","9.8838","0.0018","10.5056","0.0018","10.8938","0.0019","117.681","0.003","99.163","0.004","108.395","0.004","885.3","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C24 H18 -","- C24 H18 -","- C48 H36 -","2","1","","Li-Xiong Shao; Min Shi","Facile Synthesis of 2-Alkynyl Buta-1,3-dienes via Sonogashira Cross-Coupling Methodology","Journal of Organic Chemistry","2005","70","","8635","8637","10.1021/jo051434l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020630","14.4972","0.0004","8.1056","0.0002","10.8247","0.0003","90","","95.142","0.001","90","","1266.88","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F2 N3 O2 S -","- C13 H11 F2 N3 O2 S -","- C52 H44 F8 N12 O8 S4 -","4","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020631","18.7318","0.0004","9.9214","0.0002","23.582","0.0005","90","","90","","90","","4382.61","0.16","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 F2 N3 O2 S -","- C25 H19 F2 N3 O2 S -","- C200 H152 F16 N24 O16 S8 -","8","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020632","7.7158","0.0001","9.1","0.0001","10.1603","0.0002","94.951","0.001","99.041","0.001","97.375","0.001","694.56","0.02","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 F2 N3 O2 S -","- C14 H13 F2 N3 O2 S -","- C28 H26 F4 N6 O4 S2 -","2","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020633","8.3219","0.0001","15.8421","0.0002","11.3786","0.0002","90","","109.429","0.001","90","","1414.69","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F2 N3 O2 S -","- C14 H13 F2 N3 O2 S -","- C56 H52 F8 N12 O8 S4 -","4","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020634","10.1943","0.0005","10.5803","0.0006","14.7937","0.0008","105.942","0.002","103.247","0.002","105.64","0.002","1396","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 F2 N3 O2 S -","- C14 H13 F2 N3 O2 S -","- C56 H52 F8 N12 O8 S4 -","4","2","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020635","21.3729","0.0005","9.7107","0.0002","14.4801","0.0003","90","","90","","90","","3005.3","0.1","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 F2 N3 O2 S -","- C15 H15 F2 N3 O2 S -","- C120 H120 F16 N24 O16 S8 -","8","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020636","13.1516","0.0008","9.8626","0.0006","13.2963","0.0008","90","","114.265","0.002","90","","1572.28","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 F2 N3 O2 S -","- C16 H17 F2 N3 O2 S -","- C64 H68 F8 N12 O8 S4 -","4","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020637","5.589","0.002","9.069","0.004","11.255","0.004","90","","92.84","0.03","90","","569.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C24 H22 Br2 O4 -","2","1","","Weiqing Yang; Deju Shang; Yanling Liu; Ying Du; Xiaoming Feng","Highly Enantioselective Synthesis of 2,6-Disubstituted and 2,2,6-Trisubstituted Dihydropyrones: A One-Step Synthesis of (R)-(+)-Hepialone and Its Analogues","Journal of Organic Chemistry","2005","70","","8533","8537","10.1021/jo051458s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020638","8.6015","0.0007","19.6864","0.0017","10.4409","0.0009","90","","98.94","0.002","90","","1746.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C84 H92 N12 O4 -","4","1","","Peruncheralathan, S.; Yadav, A. K.; Ila, H.; Junjappa, H.","Highly Regioselective Synthesis of 1-Aryl-3 (or 5)-alkyl/aryl-5 (or 3)-(N-cycloamino)pyrazoles","Journal of Organic Chemistry","2005","70","23","9644","9647","10.1021/jo051478u","","","","","","","","","","","","","","","","","","","","","has coordinates","210953","2020-10-21","18:00:00",""
"4020639","6.0884","0.0006","10.5868","0.001","26.996","0.003","90","","90","","90","","1740.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C84 H92 N12 O4 -","4","1","","Peruncheralathan, S.; Yadav, A. K.; Ila, H.; Junjappa, H.","Highly Regioselective Synthesis of 1-Aryl-3 (or 5)-alkyl/aryl-5 (or 3)-(N-cycloamino)pyrazoles","Journal of Organic Chemistry","2005","70","23","9644","9647","10.1021/jo051478u","","","","","","","","","","","","","","","","","","","","","has coordinates","210953","2020-10-21","18:00:00",""
"4020640","8.4077","0.0012","22.863","0.003","24.921","0.004","90","","90","","90","","4790.4","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H62 O10 Si2 -","- C49 H62 O10 Si2 -","- C196 H248 O40 Si8 -","4","1","","William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke","Halichondrin B: Synthesis of the C1-C22 Subunit","Journal of Organic Chemistry","2005","70","","9382","9398","10.1021/jo051479m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020641","26.2553","0.0017","11.3176","0.0008","11.8892","0.0008","90","","112.159","0.001","90","","3271.9","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H44 O9 S Si -","- C26 H44 O9 S Si -","- C104 H176 O36 S4 Si4 -","4","1","","William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke","Halichondrin B: Synthesis of the C1-C22 Subunit","Journal of Organic Chemistry","2005","70","","9382","9398","10.1021/jo051479m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020642","10.1911","0.0017","11.815","0.002","19.571","0.004","90","","90","","90","","2356.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N3 -","- C28 H33 N3 -","- C112 H132 N12 -","4","1","","José M. Concellón; Pablo L. Bernad; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz","Selective Ring-Opening of Nonactivated Amino Aziridines by Thiols and Unusual Nucleophilic Substitution of a Dibenzylamino Group","Journal of Organic Chemistry","2005","70","","9411","9416","10.1021/jo0515069","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020643","6.4664","0.0003","12.282","0.0007","15.5671","0.0008","104.96","0.001","90.223","0.001","98.037","0.001","1181.67","0.11","133","2","133","2","","","","","","","","6","P 1","P 1","1","","","","- C21 H35 F N3 O3.5 S -","- C21 H35 F N3 O3.5 S -","- C42 H70 F2 N6 O7 S2 -","2","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020644","9.548","0.005","11.666","0.006","47.61","0.02","90","","90","","90","","5303","4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 F N3 O3 S -","- C24 H40 F N3 O3 S -","- C192 H320 F8 N24 O24 S8 -","8","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020645","10.26","0.0008","11.8826","0.0009","20.4519","0.0016","90","","90","","90","","2493.4","0.3","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 F N3 O3 S -","- C23 H38 F N3 O3 S -","- C92 H152 F4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020646","9.7343","0.0008","11.863","0.001","12.4542","0.0011","76.418","0.002","75.299","0.002","85.731","0.003","1352","0.2","115","2","115","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H38 F3 N3 O3 S -","- C24 H38 F3 N3 O3 S -","- C48 H76 F6 N6 O6 S2 -","2","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020647","10.23","0.002","12.844","0.002","20.36","0.003","90","","90","","90","","2675.3","0.8","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 N3 O3 S -","- C24 H41 N3 O3 S -","- C96 H164 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020648","7.2802","0.0007","9.3347","0.0008","31.939","0.003","90","","90","","90","","2170.5","0.3","116","2","116","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 F N3 O3 S -","- C20 H30 F N3 O3 S -","- C80 H120 F4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020649","7.096","0.0006","9.3289","0.0007","17.3403","0.0014","90","","94.526","0.002","90","","1144.31","0.16","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 F3 N3 O3 S -","- C21 H30 F3 N3 O3 S -","- C42 H60 F6 N6 O6 S2 -","2","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020650","7.3109","0.0005","15.176","0.0011","20.6948","0.0015","90","","90","","90","","2296.1","0.3","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl N3 O3 S -","- C20 H30 Cl N3 O3 S -","- C80 H120 Cl4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020651","22.067","0.004","19.299","0.004","8.537","0.002","90","","100.13","0.03","90","","3579","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 F18 N4 O12 -","- C26 H15 F18 N4 O12 -","- C104 H60 F72 N16 O48 -","4","1","","Jun Yin; Ronald L. Elsenbaumer","Efficient Synthesis and Characterization of Novel Bibenzimidazole Oligomers and Polymers as Potential Conjugated Chelating Ligands","Journal of Organic Chemistry","2005","70","","9436","9446","10.1021/jo051515h","","","","","","","0.0755","","","0.1797","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020652","6.679","0.001","33.845","0.005","10.224","0.002","90","","97.295","0.01","90","","2292.4","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 O5 Si -","- C21 H38 O5 Si -","- C84 H152 O20 Si4 -","4","1","","Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao","Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products","Journal of Organic Chemistry","2005","70","","8932","8941","10.1021/jo051525i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020653","15.786","0.002","20.987","0.002","10.767","0.001","90","","98.914","0.004","90","","3524","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 O7 Si -","- C36 H52 O7 Si -","- C144 H208 O28 Si4 -","4","1","","Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao","Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products","Journal of Organic Chemistry","2005","70","","8932","8941","10.1021/jo051525i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020654","10.691","0.001","11.526","0.001","14.901","0.002","84.33","0.005","75.379","0.005","72.421","0.005","1693.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Coleman 1300","","","- C33 H53 O7 Si -","- C33 H53 O7 Si -","- C66 H106 O14 Si2 -","2","1","","Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao","Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products","Journal of Organic Chemistry","2005","70","","8932","8941","10.1021/jo051525i","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020655","11.61","0.0003","7.5434","0.0002","12.8521","0.0003","90","","104.621","0.002","90","","1089.12","0.05","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl3 F N2 O4 -","- C21 H18 Cl3 F N2 O4 -","- C42 H36 Cl6 F2 N4 O8 -","2","1","","Hartmut Schirok; Cristina Alonso-Alija; Jordi Benet-Buchholz; Andreas H. Göller; Rolf Grosser; Martin Michels; Holger Paulsen","Efficient Regioselective Synthesis of 6-Amino-5-benzoyl-1-Substituted 2(1H)-Pyridinones","Journal of Organic Chemistry","2005","70","","9463","9469","10.1021/jo0515428","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020656","5.497","0.002","9.9352","0.0006","23.478","0.004","90","","90","","90","","1282.2","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br2 N2 O3 -","- C10 H10 Br2 N2 O3 -","- C40 H40 Br8 N8 O12 -","4","1","","Jignesh Patel; Nadia Pelloux-Léon; Frédéric Minassian; Yannick Vallée","Syntheses of S-Enantiomers of Hanishin, Longamide B, and Longamide B Methyl Ester from L-Aspartic Acid β-Methyl Ester: Establishment of Absolute Stereochemistry","Journal of Organic Chemistry","2005","70","","9081","9084","10.1021/jo051555l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020657","10.3484","0.0003","12.843","0.0004","26.7241","0.0006","90","","90","","90","","3551.75","0.17","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Diferrocenylcyclobutenedione","","","- C24 H18 Fe2 O2 -","- C24 H18 Fe1.9 O2 -","- C192 H144 Fe15.2 O16 -","8","2","","Angelica Aguilar-Aguilar; Annette D. Allen; Eduardo Peña Cabrera; Andrei Fedorov; Nanyan Fu; Huda Henry-Riyad; Jörg Leuninger; Ulrich Schmid; Thomas T. Tidwell; Rishi Verma","Ferrocenylketene and Ferrocenyl-1,2-bisketenes: Direct Observation and Reactivity Measurements","Journal of Organic Chemistry","2005","70","","9556","9561","10.1021/jo0515677","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020658","6.87","0.001","20.553","0.004","11.365","0.003","90","","104.83","","90","","1551.3","0.6","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ferrocenyl(trimethylsilyl)cyclobutenedione","","","- C17 H18 Fe O2 Si -","- C17 H18 Fe O2 Si -","- C68 H72 Fe4 O8 Si4 -","4","1","","Angelica Aguilar-Aguilar; Annette D. Allen; Eduardo Peña Cabrera; Andrei Fedorov; Nanyan Fu; Huda Henry-Riyad; Jörg Leuninger; Ulrich Schmid; Thomas T. Tidwell; Rishi Verma","Ferrocenylketene and Ferrocenyl-1,2-bisketenes: Direct Observation and Reactivity Measurements","Journal of Organic Chemistry","2005","70","","9556","9561","10.1021/jo0515677","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020659","8.7723","0.0018","8.8405","0.0008","11.9797","0.0011","81.375","0.008","78.537","0.013","85.571","0.013","899.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N Si -","- C22 H21 N Si -","- C44 H42 N2 Si2 -","2","1","","Bogdan Marciniec; Mariusz Majchrzak; Wiesław Prukała; Maciej Kubicki; Dariusz Chadyniak","Highly Stereoselective Synthesis, Structure, and Application of (E)-9-[2-(Silyl)ethenyl]-9H-carbazoles","Journal of Organic Chemistry","2005","70","","8550","8555","10.1021/jo051629t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020660","14.789","0.003","6.036","0.001","18.275","0.004","90","","106.03","0.03","90","","1567.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N Si -","- C17 H19 N Si -","- C68 H76 N4 Si4 -","4","1","","Bogdan Marciniec; Mariusz Majchrzak; Wiesław Prukała; Maciej Kubicki; Dariusz Chadyniak","Highly Stereoselective Synthesis, Structure, and Application of (E)-9-[2-(Silyl)ethenyl]-9H-carbazoles","Journal of Organic Chemistry","2005","70","","8550","8555","10.1021/jo051629t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020661","6.0925","0.0002","12.0434","0.0006","21.4699","0.0011","90","","96.706","0.002","90","","1564.56","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","arufrct2","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Kamyar Afarinkia; Akmal Bahar; Michael J. Bearpark; Yésica García-Ramos; Andrea Ruggiero; Judi Neuss; Maushami Vyas","Investigation of the Diels-Alder Cycloadditions of 2(H)-1,4-Oxazin-2-ones","Journal of Organic Chemistry","2005","70","","9529","9537","10.1021/jo051646i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020662","12.7087","0.0007","10.1688","0.0006","15.6737","0.0009","90","","99.455","0.003","90","","1998","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","aru18f2","","","- C26 H17 Br Cl N O3 -","- C24 H17 Br Cl N O3 -","- C96 H68 Br4 Cl4 N4 O12 -","4","1","","Kamyar Afarinkia; Akmal Bahar; Michael J. Bearpark; Yésica García-Ramos; Andrea Ruggiero; Judi Neuss; Maushami Vyas","Investigation of the Diels-Alder Cycloadditions of 2(H)-1,4-Oxazin-2-ones","Journal of Organic Chemistry","2005","70","","9529","9537","10.1021/jo051646i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020663","7.9987","0.0001","15.5029","0.0003","16.5298","0.0004","90","","103.866","0.0006","90","","1990.01","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Co4 O16 -","- C34 H28 Co4 O16 -","- C68 H56 Co8 O32 -","2","0.5","","Kevin M. Shea; Kristina D. Closser; Miriam M. Quintal","Nicholas Reactions with Carboxylic Acids for the Synthesis of Macrocyclic Diolides","Journal of Organic Chemistry","2005","70","","9088","9091","10.1021/jo051691q","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020664","8.4864","0.0011","8.5814","0.0011","8.6437","0.0012","98.452","0.002","101.45","0.002","114.134","0.002","544.4","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C24 H30 N2 O6 -","2","1","","Yong-Hua Yang; Min Shi","Ring-Expanding Reaction of Cyclopropyl Amides with Triphenylphosphine and Carbon Tetrahalide","Journal of Organic Chemistry","2005","70","","8645","8648","10.1021/jo0516988","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020665","15.511","0.0005","10.2182","0.0003","16.1676","0.0005","90","","90","","90","","2562.48","0.14","140","1","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H11 B F15 N O -","- C28 H11 B F15 N O -","- C112 H44 B4 F60 N4 O4 -","4","1","","Priyadarshine Hewavitharanage; Evgeny O. Danilov; Douglas C. Neckers","Pentafluorophenyl Transfer: A New Group-Transfer Reaction in Organoborate Salts","Journal of Organic Chemistry","2005","70","","10653","10659","10.1021/jo050695s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020666","11.6318","0.0006","18.6066","0.0008","13.2326","0.0007","90","","112.289","0.001","90","","2649.9","0.2","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Si4 -","- C56 H68 Si4 -","- C112 H136 Si8 -","2","0.5","","Hajime Maeda; Ko-ichi Nishimura; Kazuhiko Mizuno; Minoru Yamaji; Juro Oshima; Seiji Tobita","Synthesis and Photochemical Properties of Stilbenophanes Tethered by Silyl Chains. Control of (2π+2π) Photocycloaddition, Cis-Trans Photoisomerization, and Photocyclization","Journal of Organic Chemistry","2005","70","","9693","9701","10.1021/jo050914+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020667","9.747","0.002","14.336","0.004","15.906","0.004","90","","102.08","0.01","90","","2173.4","0.9","296.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Si2 -","- C56 H48 Si2 -","- C112 H96 Si4 -","2","0.5","","Hajime Maeda; Ko-ichi Nishimura; Kazuhiko Mizuno; Minoru Yamaji; Juro Oshima; Seiji Tobita","Synthesis and Photochemical Properties of Stilbenophanes Tethered by Silyl Chains. Control of (2π+2π) Photocycloaddition, Cis-Trans Photoisomerization, and Photocyclization","Journal of Organic Chemistry","2005","70","","9693","9701","10.1021/jo050914+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020668","10.0829","0.0007","13.0345","0.0009","29.465","0.002","90","","97.475","0.001","90","","3839.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Cl8 O8 -","- C36 H34 Cl8 O8 -","- C144 H136 Cl32 O32 -","4","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.0794","0.0562","","","0.1327","0.1447","","","","","","1.029","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020669","12.119","0.002","21.628","0.004","21.812","0.004","114.94","0.03","90.12","0.03","106.06","0.03","4935.7","1.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C132 H126 O12 -","- C132 H126 O12 -","- C264 H252 O24 -","2","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.2508","0.1973","","","0.5862","0.6238","","","","","","2.518","","","","has coordinates","178046","2020-10-21","18:00:00",""
"4020670","10.1163","0.0006","13.3844","0.0008","18.6525","0.0012","73.316","0.001","77.567","0.001","68.352","0.001","2231.6","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H50 O4 -","- C64 H50 O4 -","- C128 H100 O8 -","2","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.1853","0.1265","","","0.2148","0.2414","","","","","","1.255","","","","has coordinates","178046","2020-10-21","18:00:00",""
"4020671","24.6645","0.0017","17.5336","0.0012","19.816","0.0014","90","","98.469","0.001","90","","8476.1","1","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90.5 H90 Ag2 B2 Cl F8 N7 O8 -","- C90.5 H90 Ag2 B2 Cl F8 N7 O8 -","- C362 H360 Ag8 B8 Cl4 F32 N28 O32 -","4","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.1466","0.0698","","","0.1869","0.2174","","","","","","0.944","","","","has coordinates","178046","2020-10-21","18:00:00",""
"4020672","20.275","0.002","6.5897","0.0007","28.606","0.002","90","","113.243","0.006","90","","3511.7","0.6","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H40 Ag N3 O7 -","- C42 H40 Ag N3 O7 -","- C168 H160 Ag4 N12 O28 -","4","1","","Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng","Bicyclo[2.2.2]octene-Based ""Crab-like"" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures","Journal of Organic Chemistry","2005","70","","9717","9726","10.1021/jo051006f","","","0.71073","MoKα","","0.1287","0.0653","","","0.1607","0.1944","","","","","","0.964","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020673","17.431","0.003","9.0482","0.0013","11.2508","0.0016","90","","105.479","0.011","90","","1710.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N3 O3 -","- C16 H22 N3 O3 -","- C64 H88 N12 O12 -","4","1","","Maxim A. Voinov; Julya F. Polienko; Thomas Schanding; Andrey A. Bobko; Valery V. Khramtsov; Yury V. Gatilov; Tatyana V. Rybalova; Alex I. Smirnov; Igor A. Grigor'ev","Synthesis, Structure, and X-Band (9.5 GHz) EPR Characterization of the New Series of pH-Sensitive Spin Probes: N,N-Disubstituted 4-Amino-2,2,5,5-tetramethyl-3-imidazoline 1-Oxyls","Journal of Organic Chemistry","2005","70","","9702","9711","10.1021/jo0510890","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020674","15.833","0.004","4.6775","0.0011","12.142","0.003","90","","100.159","0.005","90","","885.1","0.4","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C44 H40 O8 -","2","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020675","35.281","0.004","4.6868","0.0005","12.1021","0.0013","90","","97.519","0.002","90","","1984","0.4","183","2","183","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020676","19.63","0.003","4.6867","0.0006","12.0309","0.0016","90","","94.459","0.002","90","","1103.5","0.3","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C52 H56 O8 -","2","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020677","44.904","0.004","4.675","0.0004","12.0495","0.001","90","","104.224","0.001","90","","2451.9","0.4","183","2","183","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C112 H128 O16 -","4","0.5","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020678","13.742","0.0017","14.6337","0.0019","13.1471","0.0018","90","","115.786","0.002","90","","2380.6","0.5","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O4 -","- C28 H32 O4 -","- C112 H128 O16 -","4","1","","Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto","Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity","Journal of Organic Chemistry","2005","70","","9755","9763","10.1021/jo051137g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020679","10.354","0.002","11.028","0.002","14.928","0.002","90","","90","","90","","1704.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O3 -","- C18 H29 N O3 -","- C72 H116 N4 O12 -","4","1","","Rajesh Iyengar; Klaas Schildknegt; Martha Morton; Jeffrey Aubé","Revisiting a Classic Approach to the Aspidosperma Alkaloids: An Intramolecular Schmidt Reaction Mediated Synthesis of (+)-Aspidospermidine","Journal of Organic Chemistry","2005","70","","10645","10652","10.1021/jo051212n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020680","10.1624","0.0011","15.3277","0.0016","21.681","0.002","90","","94.117","0.002","90","","3368.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 B2 F8 S4 -","- C32 H30 B2 F8 S4 -","- C128 H120 B8 F32 S16 -","4","1","","Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire","Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols","Journal of Organic Chemistry","2005","70","","9764","9770","10.1021/jo051317q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020681","20.296","0.004","13.134","0.002","18.991","0.003","90","","116.989","0.003","90","","4511.1","1.4","273","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 B F4 S2 -","- C22 H25 B F4 S2 -","- C176 H200 B8 F32 S16 -","8","1","","Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire","Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols","Journal of Organic Chemistry","2005","70","","9764","9770","10.1021/jo051317q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020682","11.4982","0.0013","12.4392","0.0015","23.139","0.003","90","","99.488","0.002","90","","3264.2","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 B2 F8 N S4 -","- C31 H27 B2 F8 N S4 -","- C124 H108 B8 F32 N4 S16 -","4","1","","Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire","Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols","Journal of Organic Chemistry","2005","70","","9764","9770","10.1021/jo051317q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020683","12.43","0.002","5.3168","0.001","12.926","0.002","90","","106.652","0.004","90","","818.4","0.3","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C30 H48 O10 -","2","1","","Jorge García-Fortanet; Juan Murga; Eva Falomir; Miguel Carda; J. Alberto Marco","Stereoselective Total Synthesis and Absolute Configuration of the Natural Decanolides (-)-Microcarpalide and (+)-Lethaloxin. Identity of (+)-Lethaloxin and (+)-Pinolidoxin","Journal of Organic Chemistry","2005","70","","9822","9827","10.1021/jo051353p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020684","18.718","0.004","26.983","0.005","13.365","0.003","90","","128.971","0.002","90","","5248.2","1.8","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F6 O2 -","- C29 H26 F6 O2 -","- C232 H208 F48 O16 -","8","1","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020685","14.602","0.003","9.4947","0.0017","19.285","0.003","90","","105.271","0.003","90","","2579.4","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 F6 O2 -","- C29 H26 F6 O2 -","- C116 H104 F24 O8 -","4","1","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020686","11.284","0.003","9.34","0.002","18.119","0.004","90","","93.793","0.004","90","","1905.4","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 F6 O2 -","- C23 H14 F6 O2 -","- C92 H56 F24 O8 -","4","1","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020687","12.337","0.004","9.686","0.003","31.46","0.01","90","","90","","90","","3760","2","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H14 F6 O2 -","- C23 H14 F6 O2 -","- C184 H112 F48 O16 -","8","2","","Tadatsugu Yamaguchi; Masahiro Irie","Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives","Journal of Organic Chemistry","2005","70","","10323","10328","10.1021/jo051372z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020688","10.3524","0.0002","9.7016","0.0002","31.2564","0.0005","90","","94.7012","0.0005","90","","3128.7","","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 O9 S2 -","- C16 H24 O9 S2 -","- C96 H144 O54 S12 -","6","3","","Elizabeth J. Grayson; Sarah J. Ward; Alison L. Hall; Phillip M. Rendle; David P. Gamblin; Andrei S. Batsanov; Benjamin G. Davis","Glycosyl Disulfides: Novel Glycosylating Reagents with Flexible Aglycon Alteration","Journal of Organic Chemistry","2005","70","","9740","9754","10.1021/jo051374j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020689","9.279","0.004","9.314","0.005","47.04","0.02","90","","90","","90","","4065","3","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O11 S2 -","- C15 H22 O11 S2 -","- C120 H176 O88 S16 -","8","2","","Elizabeth J. Grayson; Sarah J. Ward; Alison L. Hall; Phillip M. Rendle; David P. Gamblin; Andrei S. Batsanov; Benjamin G. Davis","Glycosyl Disulfides: Novel Glycosylating Reagents with Flexible Aglycon Alteration","Journal of Organic Chemistry","2005","70","","9740","9754","10.1021/jo051374j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020690","29.18","0.01","12.689","0.005","19.779","0.008","90","","120.77","0.03","90","","6293.9","0.5","123.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 B F4 N6 O4.5 -","- C33 H30 B F4 N6 O4.5 -","- C264 H240 B8 F32 N48 O36 -","8","1","","Shin-ichi Naya; Junya Nishimura; Makoto Nitta","Novel Synthesis, Properties, and NAD^+^-NADH Type Redox Ability of 1,3-Dimethylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions Annulated with Additional Pyrrolo[2,3-d]pyrimidine-1,3(2,4H)-dione and Furan Analogue, and Their Hydride Adducts","Journal of Organic Chemistry","2005","70","","9780","9788","10.1021/jo0514523","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020691","12.317","0.007","11.894","0.007","19.91","0.01","90","","100.5","0.05","90","","2868.7","0.3","123.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 B F4 N6 O4 -","- C31 H25 B F4 N6 O4 -","- C124 H100 B4 F16 N24 O16 -","4","1","","Shin-ichi Naya; Junya Nishimura; Makoto Nitta","Novel Synthesis, Properties, and NAD^+^-NADH Type Redox Ability of 1,3-Dimethylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions Annulated with Additional Pyrrolo[2,3-d]pyrimidine-1,3(2,4H)-dione and Furan Analogue, and Their Hydride Adducts","Journal of Organic Chemistry","2005","70","","9780","9788","10.1021/jo0514523","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020692","7.782","0.0016","11.145","0.002","13.821","0.003","72.23","0.03","75.48","0.03","70.62","0.03","1061.8","0.4","568","2","568","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C46 H68 O8 -","2","1","","Mihirbaran Mandal; Heedong Yun; Gregory B. Dudley; Songnian Lin; Derek S. Tan; Samuel J. Danishefsky","Total Synthesis of Guanacastepene A: A Route to Enantiomeric Control","Journal of Organic Chemistry","2005","70","","10619","10637","10.1021/jo051470k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020693","14.747","0.002","18.745","0.002","5.702","0.001","90","","90","","90","","1576.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H26 N2 O2 -","- C14 H26 N2 O2 -","- C56 H104 N8 O8 -","4","1","","Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud","Structural Investigation of ""cis"" and ""trans"" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn","Journal of Organic Chemistry","2005","70","","10753","10764","10.1021/jo051483y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020694","8.635","0.0004","8.793","0.0003","10.356","0.0006","82.257","0.003","73.341","0.002","66.915","0.003","692.76","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H36 Cl2 N4 O5.3 -","- C21 H36 Cl2 N4 O5.3 -","- C21 H36 Cl2 N4 O5.3 -","1","1","","Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud","Structural Investigation of ""cis"" and ""trans"" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn","Journal of Organic Chemistry","2005","70","","10753","10764","10.1021/jo051483y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020695","9.2819","0.0005","9.716","0.0006","21.2585","0.0012","83.289","0.001","80.492","0.001","64.244","0.001","1700.78","0.17","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H16 Cl2 F8 -","- C30 H16 Cl2 F8 -","- C90 H48 Cl6 F24 -","3","3","","William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga","A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene","Journal of Organic Chemistry","2005","70","","10336","10341","10.1021/jo051488v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020696","9.3031","0.0005","14.1979","0.0008","16.3548","0.0009","90","","104.872","0.002","90","","2087.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H14 F8 -","- C30 H14 F8 -","- C120 H56 F32 -","4","1","","William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga","A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene","Journal of Organic Chemistry","2005","70","","10336","10341","10.1021/jo051488v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178384","2020-10-21","18:00:00",""
"4020697","9.2818","0.0007","14.745","0.002","15.9431","0.0011","90","","105.49","0.002","90","","2102.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H14 F8 O -","- C30 H14 F8 O -","- C120 H56 F32 O4 -","4","1","","William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga","A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene","Journal of Organic Chemistry","2005","70","","10336","10341","10.1021/jo051488v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020698","9.921","0.005","27.47","0.01","10.021","0.005","90","","118.67","0.05","90","","2396","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O5 -","- C27 H29 N O5 -","- C108 H116 N4 O20 -","4","2","","Jean-François Poisson; Arturo Orellana; Andrew E. Greene","Stereocontrolled Synthesis of (-)-Kainic Acid from trans-4-Hydroxy-L-proline","Journal of Organic Chemistry","2005","70","","10860","10863","10.1021/jo051508t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020699","20.4347","0.0016","6.6251","0.0006","19.3921","0.0014","90","","96.979","0.007","90","","2605.9","0.4","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C104 H152 N8 O32 -","8","1","","Birte Basler; Oliver Schuster; Thorsten Bach","Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening","Journal of Organic Chemistry","2005","70","","9798","9808","10.1021/jo0515226","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020700","32.3497","0.0006","9.9117","0.0001","12.2514","0.0002","90","","90","","90","","3928.3","0.1","143","2","143","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22.5 H25 Cl N2 O3 -","- C22.5 H25 Cl N2 O3 -","- C180 H200 Cl8 N16 O24 -","8","1","","Birte Basler; Oliver Schuster; Thorsten Bach","Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening","Journal of Organic Chemistry","2005","70","","9798","9808","10.1021/jo0515226","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020701","14.599","0.005","6.156","0.002","18","0.007","90","","106.209","0.007","90","","1553.5","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H48 O6 -","- C34 H48 O6 -","- C68 H96 O12 -","2","1","","Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu","OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities","Journal of Organic Chemistry","2005","70","","10354","10367","10.1021/jo051536b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020702","28.197","0.007","6.3152","0.0017","22.247","0.006","90","","127.911","0.004","90","","3125.5","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H50 O5 Si -","- C28.6 H50 O5 Si -","- C114.4 H200 O20 Si4 -","4","1","","Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu","OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities","Journal of Organic Chemistry","2005","70","","10354","10367","10.1021/jo051536b","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020703","6.16","0.0012","12.062","0.002","19.348","0.004","90","","93.85","0.03","90","","1434.3","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O6 -","- C30 H48 O6 -","- C60 H96 O12 -","2","1","","Zihao Hua; David A. Carcache; Yuan Tian; Yue-Ming Li; Samuel J. Danishefsky","The Synthesis and Preliminary Biological Evaluation of a Novel Steroid with Neurotrophic Activity: NGA0187","Journal of Organic Chemistry","2005","70","","9849","9856","10.1021/jo051556d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020704","8.403","0.003","14.622","0.006","9.752","0.004","90","","91.29","0.03","90","","1198","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H23 N4 O P -","- C28 H23 N4 O P -","- C56 H46 N8 O2 P2 -","2","1","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020705","8.4707","0.0002","14.16","0.0003","23.7508","0.0007","90","","97.37","0.005","90","","2825.3","0.1","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C131 H98 Cl2 N16 O10 P8 -","- C131 H98 Cl2 N16 O10 P8 -","- C131 H98 Cl2 N16 O10 P8 -","1","0.5","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4020706","8.118","0.0003","20.8664","0.0008","8.9972","0.0003","90","","108.976","0.005","90","","1441.24","0.09","173","","173","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H27 N4 O5 P -","- C32 H27 N4 O5 P -","- C64 H54 N8 O10 P2 -","2","0.5","","Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel","Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives","Journal of Organic Chemistry","2005","70","","9835","9840","10.1021/jo051586g","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020707","6.855","0.001","10.497","0.001","20.241","0.003","90","","90","","90","","1456.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Ramón Badorrey; Carlos Cativiela; María D. Díaz-de-Villegas; Roberto Díez; Fabrizio Galbiati; José A. Gálvez","Highly Diastereoselective Cyanation of Methyl Ketimines Obtained from (R)-Glyceraldehyde","Journal of Organic Chemistry","2005","70","","10102","10105","10.1021/jo051592c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020708","9.808","0.002","11.955","0.002","17.065","0.003","90","","90","","90","","2001","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C72 H120 N8 O20 -","4","1","","Pijus Kumar Mandal; Kumar K. Kaluarachchi; Douglas Ogrin; Simon G. Bott; John S. McMurray","An Efficient Synthesis of the Constrained Peptidomimetic 2-Oxo-3-(N-9-fluorenyloxy-carbonylamino)- 1-azabicyclo[4.3.0]nonane-9-carboxylic Acid from Pyroglutamic Acid","Journal of Organic Chemistry","2005","70","","10128","10131","10.1021/jo0515935","","","","","","","0.0491","","","0.099","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020709","18.068","0.002","18.068","0.004","25.243","0.004","90","","90","","90","","8241","2","298","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C13 H20 Cl K N2 O12 -","- C13 H18 Cl K N2 O12 -","- C208 H288 Cl16 K16 N32 O192 -","16","1","","Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik","Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation","Journal of Organic Chemistry","2005","70","","9867","9873","10.1021/jo051594x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020710","11.3291","0.0012","21.53","0.003","10.342","0.002","90","","98.036","0.01","90","","2497.9","0.6","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 F6 K N3 O8 P -","- C15 H23 F6 K N3 O8 P -","- C60 H92 F24 K4 N12 O32 P4 -","4","1","","Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik","Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation","Journal of Organic Chemistry","2005","70","","9867","9873","10.1021/jo051594x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020711","16.419","0.003","8.0011","0.0014","17.43","0.005","90","","91.24","0.02","90","","2289.3","1","298","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H20 Cl N2 Na2 O16 -","- C13 H20 Cl2 N2 Na2 O16 -","- C52 H80 Cl8 N8 Na8 O64 -","4","1","","Aneta Bogdanova; Marc W. Perkovic; Vladimir V. Popik","Structure and Photochemistry of 18-Diazo-1,4,7,10,13,16-hexaoxacyclononadeca-17,19-dione and Its Sodium and Potassium Complexes. Control of the Ground-State Conformation of 2-Diazo-1,3-dicarbonyl Fragment via Host-Guest Complexation","Journal of Organic Chemistry","2005","70","","9867","9873","10.1021/jo051594x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020712","13.0799","0.0011","13.5478","0.001","23.1224","0.0019","90","","90","","90","","4097.4","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Cu F3 O5 P4 S -","- C37 H56 Cu F3 O5 P4 S -","- C148 H224 Cu4 F12 O20 P16 S4 -","4","1","","Alexandre Côté; André B. Charette","Multicomponent One-Pot Procedure for the Synthesis of Free α-Chiral Amines from Aldehydes","Journal of Organic Chemistry","2005","70","","10864","10867","10.1021/jo0516483","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020713","7.7036","0.0013","10.137","0.0017","18.605","0.003","90","","94.481","0.003","90","","1448.4","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N8 O14 -","- C26 H32 N8 O14 -","- C52 H64 N16 O28 -","2","0.5","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020714","10.1433","0.0005","18.4828","0.0009","18.5254","0.0009","90","","93.667","0.001","90","","3466","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N10 O14 -","- C30 H38 N10 O14 -","- C120 H152 N40 O56 -","4","1","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020715","11.4566","0.0005","12.8691","0.0006","21.024","0.0009","92.876","0.001","98.905","0.001","106.952","0.001","2914.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H66 N16 O45 -","- C36 H63.8 N16 O45 -","- C72 H127.6 N32 O90 -","2","1","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020716","9.6635","0.0003","16.6677","0.0005","21.0632","0.0006","90","","94.878","0.001","90","","3380.33","0.17","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N12 O10 -","- C30 H36 N12 O10 -","- C120 H144 N48 O40 -","4","1","","Jason Lagona; James C. Fettinger; Lyle Isaacs","Cucurbit[n]uril Analogues: Synthetic and Mechanistic Studies","Journal of Organic Chemistry","2005","70","","10381","10392","10.1021/jo051655r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020717","9.4195","0.0003","21.7175","0.0006","10.4372","0.0003","90","","90.8136","0.0007","90","","2134.9","0.1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl O4 -","- C24 H23 Cl O4 -","- C96 H92 Cl4 O16 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020718","11.847","0.008","8.94","0.007","19.015","0.006","90","","93.27","0.04","90","","2010","1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br Cl O4 -","- C20 H20 Br Cl O4 -","- C80 H80 Br4 Cl4 O16 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020719","5.9017","0.0001","8.0644","0.0006","13.7216","0.0005","90","","94.785","0.002","90","","650.79","0.06","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020720","12.0726","0.0007","22.2121","0.0011","12.0726","0.0007","90","","113.741","0.002","90","","2963.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H68 O14 -","- C70 H68 O14 -","- C140 H136 O28 -","2","0.5","","José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados","Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes","Journal of Organic Chemistry","2005","70","","10400","10407","10.1021/jo0516638","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020721","11.1749","0.0001","12.1186","0.0001","27.6517","0.0003","90","","90.607","0.001","90","","3744.5","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H92 Cl2 O14 -","- C83 H92 Cl2 O14 -","- C166 H184 Cl4 O28 -","2","0.5","","José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados","Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes","Journal of Organic Chemistry","2005","70","","10400","10407","10.1021/jo0516638","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020722","11.8114","0.0002","21.0977","0.0004","15.827","0.0003","90","","109.64","0.001","90","","3714.53","0.12","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H86 Br2 O14 -","- C80 H86 Br2 O14 -","- C160 H172 Br4 O28 -","2","0.5","","José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados","Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes","Journal of Organic Chemistry","2005","70","","10400","10407","10.1021/jo0516638","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020723","9.3699","0.001","10.4362","0.0012","13.2079","0.0018","101.103","0.011","94.95","0.01","111.346","0.01","1163","0.2","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C44 H52 N4 O24 -","- C44 H52 N4 O24 -","- C44 H52 N4 O24 -","1","1","","Tetsuya Kodama; Marc M. Greenberg","Preparation and Analysis of Oligonucleotides Containing Lesions Resulting from C5'-Oxidation","Journal of Organic Chemistry","2005","70","","9916","9924","10.1021/jo051666k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020724","5.384","0.0005","12.0829","0.0012","17.7316","0.0016","90","","90","","90","","1153.52","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C44 H56 O24 -","4","1","","N. Nieto; P. Molas; J. Benet-Buchholz; A. Vidal-Ferran","Practical Synthesis of Shi's Diester Fructose Derivative for Catalytic Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","10143","10146","10.1021/jo051682h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020725","22.246","0.011","23.698","0.011","5.599","0.002","90","","90","","90","","2952","2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H20 O9 -","- C13 H20 O9 -","- C104 H160 O72 -","8","2","","N. Nieto; P. Molas; J. Benet-Buchholz; A. Vidal-Ferran","Practical Synthesis of Shi's Diester Fructose Derivative for Catalytic Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","10143","10146","10.1021/jo051682h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020726","8.817","0.002","14.894","0.003","32.741","0.007","90","","90","","90","","4299.6","1.6","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H52 N4 O2 -","- C52 H52 N4 O2 -","- C208 H208 N16 O8 -","4","1","","Jacek Gawroński; Małgorzata Brzostowska; Marcin Kwit; Agnieszka Plutecka; Urszula Rychlewska","Rhombimines-Cyclic Tetraimines of trans-1,2-Diaminocyclohexane Shaped by the Diaryl Ether Structural Motif","Journal of Organic Chemistry","2005","70","","10147","10150","10.1021/jo051687e","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020727","30.895","0.003","5.5887","0.0007","7.818","0.001","90","","93.066","0.009","90","","1348","0.3","198.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H12 F3 N O -","- C17 F3 N O -","- C68 F12 N4 O4 -","4","1","","Tsutomu Konno; Jungha Chae; Tomotsugu Miyabe; Takashi Ishihara","Regioselective One-Step Synthesis of 4-Fluoroalkylated Isoquinolines via Carbopalladation Reaction of Fluorine-Containing Alkynes","Journal of Organic Chemistry","2005","70","","10172","10174","10.1021/jo051700v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020728","10.9618","0.0005","14.605","0.0007","17.6987","0.0008","82.011","0.003","86.542","0.003","85.712","0.003","2794.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H40 B10 O4 P2 Pt -","- C16 H40 B10 O4 P2 Pt -","- C64 H160 B40 O16 P8 Pt4 -","4","2","","Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana","Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles","Journal of Organic Chemistry","2005","70","","10440","10446","10.1021/jo0517085","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020729","14.0198","0.0006","15.82","0.0007","16.3241","0.0005","90.049","0.002","114.665","0.002","114.321","0.0015","2932.3","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H156 B20 O8 P8 Pt4 -","- C84 H156 B20 O8 P8 Pt4 -","- C84 H156 B20 O8 P8 Pt4 -","1","0.5","","Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana","Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles","Journal of Organic Chemistry","2005","70","","10440","10446","10.1021/jo0517085","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020730","20.1146","0.0003","25.0555","0.0004","22.5939","0.0003","90","","99.0506","0.0008","90","","11245.1","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H168 B20 O10 P8 Pt4 -","- C90 H168 B20 O10 P8 Pt4 -","- C360 H672 B80 O40 P32 Pt16 -","4","1","","Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana","Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles","Journal of Organic Chemistry","2005","70","","10440","10446","10.1021/jo0517085","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020731","10.501","0.006","11.277","0.007","9.106","0.007","104.1","0.06","93.87","0.06","68.2","0.04","971","1","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Hiroyuki Suga; Yasutaka Ebiura; Kazuaki Fukushima; Akikazu Kakehi; Toshihide Baba","Efficient Catalytic Effects of Lewis Acids in the 1,3-Dipolar Cycloaddition Reactions of Carbonyl Ylides with Imines","Journal of Organic Chemistry","2005","70","","10782","10791","10.1021/jo051743b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020732","8.476","0.009","12.54","0.01","18.38","0.01","90","","95.71","0.08","90","","1943","3","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Hiroyuki Suga; Yasutaka Ebiura; Kazuaki Fukushima; Akikazu Kakehi; Toshihide Baba","Efficient Catalytic Effects of Lewis Acids in the 1,3-Dipolar Cycloaddition Reactions of Carbonyl Ylides with Imines","Journal of Organic Chemistry","2005","70","","10782","10791","10.1021/jo051743b","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020733","5.0172","0.0003","11.8925","0.0006","24.7383","0.0012","90","","90","","90","","1476.06","0.14","90","2","90","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Huw M. L. Davies; Simon J. Hedley; Brooks R. Bohall","Asymmetric Intermolecular C-H Functionalization of Benzyl Silyl Ethers Mediated by Chiral Auxiliary-Based Aryldiazoacetates and Chiral Dirhodium Catalysts","Journal of Organic Chemistry","2005","70","","10737","10742","10.1021/jo051747g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020734","10.1562","0.0008","10.4485","0.0008","19.7286","0.0015","90","","90","","90","","2093.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C88 H84 N4 O24 S4 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020735","11.5923","0.0008","17.0433","0.0012","17.9971","0.0013","90","","108.321","0.002","90","","3375.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O7 S2 -","- C35 H36 N2 O7 S2 -","- C140 H144 N8 O28 S8 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020736","15.3098","0.0013","15.6606","0.0013","12.3382","0.001","90","","91.245","0.002","90","","2957.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N2 O6 S2 -","- C32 H30 N2 O6 S2 -","- C128 H120 N8 O24 S8 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020737","7.6675","0.0008","13.814","0.0015","22.914","0.003","92.491","0.002","93.885","0.002","98.992","0.002","2388.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O4 S -","- C27 H25 N O4 S -","- C108 H100 N4 O16 S4 -","4","2","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020738","6.3576","0.0009","8.9534","0.0013","31.589","0.005","90","","91.829","0.003","90","","1797.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F N O3 S -","- C19 H17 F N O3 S -","- C76 H68 F4 N4 O12 S4 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020739","20.5357","0.0016","11.4427","0.0009","20.5964","0.0015","90","","117.564","0.002","90","","4290.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C168 H176 N16 O48 S8 -","8","2","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020740","11.0446","0.001","12.4582","0.0012","14.1435","0.0013","90","","91.214","0.002","90","","1945.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020741","10.157","0.0004","10.07","0.0004","31.991","0.0013","90","","103.547","0.001","90","","3181","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C112 H160 N32 O24 -","8","2","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020742","22.528","0.004","10.072","0.002","24.147","0.005","90","","101.265","0.004","90","","5373.4","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N8 O6 -","- C24 H32 N8 O6 -","- C192 H256 N64 O48 -","8","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020743","11.6506","0.0015","15.143","0.0019","8.9226","0.0011","90","","108.742","0.003","90","","1490.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 N4 O3 -","- C11 H13 N4 O3 -","- C44 H52 N16 O12 -","4","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4020744","9.4903","0.0006","11.1867","0.0007","16.2401","0.001","84.059","0.001","78.766","0.001","82.3","0.001","1670.53","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H41 N10 O6 -","- C27 H41 N10 O6 -","- C54 H82 N20 O12 -","2","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020745","15.733","0.0008","11.6432","0.0006","19.0192","0.001","90","","102.185","0.001","90","","3405.5","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 N4 O3 S -","- C16 H18 N4 O3 S -","- C128 H144 N32 O24 S8 -","8","2","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020746","10.2504","0.0006","13.3758","0.0008","17.822","0.001","90.941","0.001","94.799","0.001","99.773","0.001","2398.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H72 N8 O6 S2 -","- C42 H72 N8 O6 S2 -","- C84 H144 N16 O12 S4 -","2","1","","Panchami Prabhakaran; Vedavati G. Puranik; Gangadhar J. Sanjayan","Preorganizing Linear (Self-Complementary) Quadruple Hydrogen-Bonding Arrays Using Intramolecular Hydrogen Bonding as the Sole Force","Journal of Organic Chemistry","2005","70","","10067","10072","10.1021/jo051768a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020747","17","0.003","8.31","0.0017","15.24","0.003","90","","102.9","0.03","90","","2098.6","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N5 O3 S -","- C21 H21 N5 O3 S -","- C84 H84 N20 O12 S4 -","4","1","","Jian Liu; Raymond J. Patch; Carsten Schubert; Mark R. Player","Single-Step Syntheses of 2-Amino-7-chlorothiazolo[5,4-d]pyrimidines: Intermediates for Bivalent Thiazolopyrimidines","Journal of Organic Chemistry","2005","70","","10194","10197","10.1021/jo0517702","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020748","11.3626","0.0016","8.8591","0.0013","13.0108","0.0019","90","","99.29","0.002","90","","1292.5","0.3","273","2","273","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 -","- C34 H30 -","- C68 H60 -","2","0.5","","Lodovico Lunazzi; Andrea Mazzanti; Mirko Minzoni","Static and Dynamic Stereochemistry of the Conformational Atropisomers of Tetra(o-tolyl)benzene","Journal of Organic Chemistry","2005","70","","10062","10066","10.1021/jo051783f","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4020749","5.2719","0.0001","8.0229","0.0001","30.5228","0.0003","90","","90","","90","","1290.99","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","1","","M. Carmen Carreño; M. Jesús Sanz-Cuesta","Conjugate Additions of Me~2~CuLi to Enantiopure γ-Hydroxy-δ-sulfinyl and Sulfonyl Pentenoates","Journal of Organic Chemistry","2005","70","","10036","10045","10.1021/jo051788c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020750","9.37","0.02","6.782","0.003","15.72","0.03","90","","106.44","0.09","90","","958","3","150","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O8 -","- C20 H21 N O8 -","- C40 H42 N2 O16 -","2","1","","Dieter Enders; Achim Lenzen; Michael Backes; Carsten Janeck; Kelly Catlin; Marie-Isabelle Lannou; Jan Runsink; Gerhard Raabe","Asymmetric Total Synthesis of the 1-epi-Aglycon of the Cripowellins A and B","Journal of Organic Chemistry","2005","70","","10538","10551","10.1021/jo0518093","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020751","5.842","0.002","7.803","0.002","9.58","0.005","98.06","0.03","100.15","0.03","91.75","0.03","425","0.3","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 S2 -","- C10 H6 S2 -","- C20 H12 S4 -","2","1","","Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo","Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes","Journal of Organic Chemistry","2005","70","","10569","10571","10.1021/jo051812m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020752","5.7985","0.0006","7.9434","0.0008","9.864","0.001","97.41","0.01","101.48","0.01","91.567","0.009","440.87","0.09","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 Se2 -","- C10 H6 Se2 -","- C20 H12 Se4 -","2","1","","Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo","Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes","Journal of Organic Chemistry","2005","70","","10569","10571","10.1021/jo051812m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020753","5.822","0.002","8.122","0.002","10.292","0.003","95.85","0.02","102.59","0.02","91.3","0.02","472","0.2","298.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 Te2 -","- C10 H6 Te2 -","- C20 H12 Te4 -","2","1","","Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo","Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes","Journal of Organic Chemistry","2005","70","","10569","10571","10.1021/jo051812m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020754","10.096","0.002","10.316","0.002","12.523","0.003","71.918","0.003","78.502","0.003","80.289","0.003","1207","0.5","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 O Si -","- C26 H36 O Si -","- C52 H72 O2 Si2 -","2","1","","Asunción Barbero; Pilar Castreño; Gloria Fernández; Francisco J. Pulido","Intramolecular Ene Reaction of Epoxyallylsilanes: Synthesis of Allyl- and Vinylsilane-Functionalized Cyclohexanols","Journal of Organic Chemistry","2005","70","","10747","10752","10.1021/jo051868g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020755","10.807","0.0003","9.6599","0.0003","12.5622","0.0004","90","","113.068","0.0012","90","","1206.57","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 O2 P -","- C13 H15 O2 P -","- C52 H60 O8 P4 -","4","1","","Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur","Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives","Journal of Organic Chemistry","2005","70","","10803","10809","10.1021/jo0518708","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020756","9.4409","0.0002","10.4204","0.0002","12.9663","0.0003","90","","110.814","0.0009","90","","1192.35","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 O2 P -","- C13 H15 O2 P -","- C52 H60 O8 P4 -","4","1","","Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur","Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives","Journal of Organic Chemistry","2005","70","","10803","10809","10.1021/jo0518708","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020757","29.4897","0.0005","5.6348","0.0002","18.6928","0.0003","90","","98.2735","0.0007","90","","3073.83","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 O2 P -","- C18 H17 O2 P -","- C144 H136 O16 P8 -","8","2","","Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur","Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives","Journal of Organic Chemistry","2005","70","","10803","10809","10.1021/jo0518708","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020758","18.9165","0.0002","19.0923","0.0003","26.6298","0.0005","90","","90","","90","","9617.6","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C93 H123 F9 N4 O12.5 -","- C93.1 H93 F9 N4 O12.5 -","- C372.4 H372 F36 N16 O50 -","4","1","","Ulrich Darbost; Xianshun Zeng; Michel Giorgi; Ivan Jabin","Optically Pure Calix[6]tris-ammoniums: Syntheses and Host-Guest Properties toward Neutral Guests","Journal of Organic Chemistry","2005","70","","10552","10560","10.1021/jo051886y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020759","8.931","0.002","5.4806","0.0012","11.847","0.003","90","","110.988","0.004","90","","541.4","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Scott E. Denmark; Shinji Fujimori; Son M. Pham","Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers","Journal of Organic Chemistry","2005","70","","10823","10840","10.1021/jo051930+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020760","10.1869","0.0009","5.016","0.0005","10.8921","0.001","90","","102.478","0.002","90","","543.41","0.09","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Scott E. Denmark; Shinji Fujimori; Son M. Pham","Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers","Journal of Organic Chemistry","2005","70","","10823","10840","10.1021/jo051930+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020761","18.12","0.007","6.607","0.002","12.804","0.005","90","","107.072","0.005","90","","1465.4","0.9","300.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O Si -","- C12 H20 N2 O Si -","- C48 H80 N8 O4 Si4 -","4","1","","Seigo Okugawa; Hyuma Masu; Kentaro Yamaguchi; Kei Takeda","Nitrile Anion Cyclization with Epoxysilanes Followed by Brook Rearrangement/Ring-Opening of Cyclopropane Nitriles/Alkylation","Journal of Organic Chemistry","2005","70","","10515","10523","10.1021/jo0519413","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020762","22.0841","0.0007","10.4436","0.0003","17.3447","0.0005","90","","105.705","0.002","90","","3851","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 Se -","- C23 H20 N2 Se -","- C184 H160 N16 Se8 -","8","2","","Jan M. Pedersen; W. Russell Bowman; Mark R. J. Elsegood; Anthony J. Fletcher; Peter J. Lovell","Synthesis of Ellipticine: A Radical Cascade Protocol to Aryl- and Heteroaryl-Annulated[b]carbazoles","Journal of Organic Chemistry","2005","70","","10615","10618","10.1021/jo0519920","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020763","7.1979","0.001","9.1954","0.001","17.7887","0.001","98.044","0.01","101.57","0.01","98.183","0.01","1124.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 Co2 Cr O11 -","- C20 H10 Co2 Cr O11 -","- C40 H20 Co4 Cr2 O22 -","2","1","","Marta Rosillo; Gema Domínguez; Luis Casarrubios; Javier Pérez-Castells","Arene-Chromium Tricarbonyl Complexes in the Pauson-Khand Reaction","Journal of Organic Chemistry","2005","70","","10611","10614","10.1021/jo0519965","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020764","23.36","0.002","28.872","0.003","8.928","0.001","90","","98.553","0.002","90","","5954.5","1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.75 H37.25 F3 N4 O5.38 S -","- C22 H17 F3 N4 O2 S -","- C176 H136 F24 N32 O16 S8 -","8","1","","Thorfinnur Gunnlaugsson; Paul E. Kruger; Paul Jensen; Juliann Tierney; Haslin Dato Paduka Ali; Gillian M. Hussey","Colorimetric ""Naked Eye"" Sensing of Anions in Aqueous Solution","Journal of Organic Chemistry","2005","70","","10875","10878","10.1021/jo0520487","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178385","2020-10-21","18:00:00",""
"4028889","10.6695","0.0008","18.7483","0.0014","23.9407","0.0018","90","","98.397","0.002","90","","4737.6","0.6","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H47.25 Cl5.75 N4 O12 P Si -","- C39 H47.25 Cl5.75 N4 O12 P Si -","- C156 H189 Cl23 N16 O48 P4 Si4 -","4","2","","Le Clézio, Ingrid; Gornitzka, Heinz; Escudier, Jean-Marc; Vigroux, Alain","Constrained Nucleic Acids (CNA). Part 2. Synthesis of Conformationally Restricted Dinucleotide Units Featuring Noncanonical α/β/γ or δ/ε/ζ Torsion Angle Combinations","The Journal of Organic Chemistry","2005","70","5","1620","1629","10.1021/jo048136t","","","0.71073","MoKα","","0.1078","0.0614","","","0.1258","0.1454","","","","","","1.001","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028892","9.6373","0.0016","18.901","0.003","11.2859","0.0018","90","","109.531","0.003","90","","1937.5","0.5","293","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 B2 F8 N2 S4 -","- C36 H36 B2 F8 N2 S4 -","- C72 H72 B4 F16 N4 S8 -","2","0.5","","Shine, Henry J.; Rangappa, Paramashivappa; Marx, John N.; Shelly, Dennis C.; Ould-Ely, Teyeb; Whitmire, Kenton H.","Adducts of Thianthrene- and Phenoxathiin Cation Radical Salts with Symmetrical Alkynes. Structure and Formation of Cumulenes on Alumina Leading to α-Diketones, α-Hydroxyalkynes, and α-Acetamidoalkynes","The Journal of Organic Chemistry","2005","70","10","3877","3883","10.1021/jo050198b","","","0.71073","MoKα","","0.157","0.0878","","","0.2134","0.2444","","","","","","1.201","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4029681","6.211","0.002","9.483","0.002","17.825","0.003","90","","90","","90","","1049.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,3S)-1-Phenyl-2-methyl-1,3-butanediol-(1R,2S,3S)-syn,anti-5","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Abate, Agnese; Brenna, Elisabetta; Fuganti, Claudio; Gatti, Francesco G.; Giovenzana, Tommaso; Malpezzi, Luciana; Serra, Stefano","Chirality and fragrance chemistry: stereoisomers of the commercial chiral odorants Muguesia and Pamplefleur.","The Journal of organic chemistry","2005","70","4","1281","1290","10.1021/jo048445j","","","1.54179","CuKα","","0.0964","0.0623","","","0.1527","0.1769","","","","","","1.04","","","","has coordinates","178475","2020-10-21","18:00:00",""